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3,4,7,8-Tetramethyl-1,10-phenanthroline
3,4,7,8-Tetramethyl-1,10-phenanthroline ID: API-44465
CAS:1660-93-1
Supplier:APIchem

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SMILES:n1c2c(c(c(c1)C)C)ccc1c2ncc(c1C)C	ChemMol.com
FORMULA: C16H16N2
MASS: 236.3116
EXACT MASS: 236.1313485
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    2.0137     0.0000 
   C   3    1.7760     2.6799     0.0000 
   C   4    2.6798     1.7760     2.0000     0.0000 
   C   5    1.0416     1.7603     1.0000     1.7320     0.0000 
   C   6    1.7602     1.0416     1.7320     1.0000     1.0000     0.0000 
   C   7    3.5361     2.0694     3.0416     1.0417     2.6903     1.7761 
   C   8    2.0693     3.5361     1.0416     3.0415     1.7761     2.6902 
   C   9    2.6901     3.0415     1.0000     1.7320     1.7320     2.0000 
   C  10    3.0414     2.6902     1.7320     1.0000     2.0000     1.7320 
   C  11    1.8001     3.6862     1.8001     3.6766     2.0693     3.0693 
   C  12    3.6862     1.8001     3.6766     1.8001     3.0693     2.0693 
   C  13    1.0416     3.0553     2.0693     3.5321     1.8001     2.7087 
   C  14    3.0553     1.0416     3.5321     2.0693     2.7087     1.8001 
   C  15    3.0692     4.4290     1.7702     3.6413     2.6838     3.5022 
   C  16    4.4289     3.0692     3.6413     1.7702     3.5022     2.6838 
   C  17    2.7152     4.6634     2.7152     4.6528     3.0693     4.0693 
   C  18    4.6633     2.7151     4.6528     2.7152     4.0692     3.0693 
   H  19    3.1850     3.6615     1.4158     2.2901     2.2901     2.6200 
   H  20    3.6615     3.1851     2.2901     1.4158     2.6200     2.2901 
   H  21    1.4559     3.4073     2.6892     4.0813     2.3593     3.2061 
   H  22    3.4072     1.4558     4.0813     2.6892     3.2061     2.3593 
   H  23    3.1360     4.7124     2.1527     4.1136     2.9526     3.8550 
   H  24    3.6892     5.0030     2.3256     4.0926     3.2738     4.0482 
   H  25    3.1265     4.2183     1.5499     3.2196     2.5411     3.2310 
   H  26    4.2183     3.1266     3.2196     1.5499     3.2310     2.5411 
   H  27    5.0028     3.6892     4.0925     2.3255     4.0481     3.2737 
   H  28    4.7123     3.1360     4.1136     2.1527     3.8550     2.9526 
   H  29    4.8190     2.9762     4.5741     2.5798     4.1121     3.1266 
   H  30    5.2735     3.3073     5.2626     3.3073     4.6893     3.6893 
   H  31    4.5869     2.5798     4.8108     2.9762     4.1204     3.1360 
   H  32    2.5798     4.5870     2.9762     4.8108     3.1360     4.1204 
   H  33    3.3073     5.2736     3.3073     5.2626     3.6893     4.6892 
   H  34    2.9762     4.8190     2.5798     4.5741     3.1265     4.1120 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    4.0830     0.0000 
   C   9    2.6799     1.7602     0.0000 
   C  10    1.7603     2.6798     1.0000     0.0000 
   C  11    4.6974     1.0417     2.7087     3.5321     0.0000 
   C  12    1.0416     4.6974     3.5321     2.7087     5.1385     0.0000 
   C  13    4.4686     1.8002     3.0693     3.6766     1.0416     4.7050 
   C  14    1.8001     4.4685     3.6766     3.0692     4.7049     1.0416 
   C  15    4.6553     1.0000     2.0316     3.0315     1.7702     5.3990 
   C  16    0.9999     4.6552     3.0315     2.0316     5.3990     1.7702 
   C  17    5.6816     1.7702     3.5302     4.4272     1.0000     6.1385 
   C  18    1.7702     5.6815     4.4273     3.5302     6.1385     1.0000 
   H  19    3.1709     1.8547     0.6200     1.4158     2.8837     4.0792 
   H  20    1.8547     3.1709     1.4158     0.6201     4.0793     2.8837 
   H  21    4.9808     2.3593     3.6892     4.2805     1.4557     5.1319 
   H  22    2.3594     4.9808     4.2805     3.6892     5.1318     1.4559 
   H  23    5.1449     1.1766     2.5873     3.5830     1.5499     5.8286 
   H  24    5.0771     1.6200     2.4020     3.3823     2.3256     5.8776 
   H  25    4.2004     1.1766     1.5261     2.5121     2.1528     5.0096 
   H  26    1.1766     4.2003     2.5122     1.5262     5.0096     2.1527 
   H  27    1.6199     5.0770     3.3822     2.4019     5.8775     2.3255 
   H  28    1.1765     5.1448     3.5830     2.5873     5.8285     1.5498 
   H  29    1.5498     5.6151     4.2194     3.2664     6.1678     1.1766 
   H  30    2.3255     6.2943     5.0023     4.0798     6.7585     1.6200 
   H  31    2.1527     5.8138     4.7082     3.8761     6.1717     1.1766 
   H  32    5.8139     2.1528     3.8761     4.7082     1.1766     6.1718 
   H  33    6.2943     2.3255     4.0797     5.0022     1.6200     6.7585 
   H  34    5.6151     1.5498     3.2663     4.2193     1.1766     6.1677 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    4.0969     0.0000 
   C  15    2.7152     5.3023     0.0000 
   C  16    5.3023     2.7152     5.0629     0.0000 
   C  17    1.7702     5.6903     2.0483     6.3511     0.0000 
   C  18    5.6902     1.7702     6.3512     2.0484     7.1385     0.0000 
   H  19    3.4191     4.2810     1.7969     3.3809     3.5800     4.9377 
   H  20    4.2811     3.4191     3.3810     1.7968     4.9377     3.5800 
   H  21    0.6199     4.4375     3.2147     5.8476     1.8858     6.0990 
   H  22    4.4375     0.6200     5.8476     3.2148     6.0990     1.8858 
   H  23    2.5798     5.6414     0.6199     5.6116     1.5444     6.8002 
   H  24    3.3073     5.8454     0.6200     5.3938     2.4204     6.8071 
   H  25    2.9762     5.0171     0.6200     4.5326     2.6028     5.9330 
   H  26    5.0171     2.9762     4.5327     0.6199     5.9330     2.6028 
   H  27    5.8454     3.3073     5.3938     0.6200     6.8071     2.4205 
   H  28    5.6414     2.5798     5.6116     0.6200     6.8002     1.5445 
   H  29    5.8190     2.1527     6.2051     1.5444     7.1630     0.6201 
   H  30    6.3035     2.3256     6.9483     2.4205     7.7586     0.6200 
   H  31    5.6273     1.5498     6.5529     2.6028     7.1678     0.6200 
   H  32    1.5498     5.6273     2.6028     6.5529     0.6201     7.1678 
   H  33    2.3256     6.3035     2.4203     6.9482     0.6200     7.7585 
   H  34    2.1527     5.8189     1.5444     6.2050     0.6200     7.1630 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    1.6200     0.0000 
   H  21    4.0333     4.8890     0.0000 
   H  22    4.8890     4.0333     4.7127     0.0000 
   H  23    2.4056     3.9674     2.9930     6.1573     0.0000 
   H  24    2.0254     3.6453     3.7809     6.4046     0.8768     0.0000 
   H  25    1.1997     2.8090     3.5327     5.5898     1.2400     0.8768 
   H  26    2.8090     1.1997     5.5898     3.5327     5.0992     4.8320 
   H  27    3.6453     2.0253     6.4045     3.7809     5.9671     5.6704 
   H  28    3.9673     2.4055     6.1573     2.9930     6.1438     5.9672 
   H  29    4.6815     3.2186     6.2726     2.3929     6.6920     6.6205 
   H  30    5.4941     4.0757     6.7036     2.3349     7.4065     7.3927 
   H  31    5.2550     4.0053     5.9850     1.4683     6.9622     7.0436 
   H  32    4.0054     5.2550     1.4683     5.9850     2.1414     3.0177 
   H  33    4.0757     5.4941     2.3349     6.7035     1.8383     2.6724 
   H  34    3.2186     4.6815     2.3928     6.2725     0.9768     1.8383 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    3.9820     0.0000 
   H  27    4.8319     0.8767     0.0000 
   H  28    5.0992     1.2399     0.8768     0.0000 
   H  29    5.7438     2.1413     1.8383     0.9768     0.0000 
   H  30    6.5169     3.0177     2.6725     1.8383     0.8769     0.0000 
   H  31    6.1788     3.1198     3.0177     2.1413     1.2401     0.8769 
   H  32    3.1199     6.1788     7.0435     6.9622     7.2454     7.7859 
   H  33    3.0176     6.5168     7.3926     7.4064     7.7807     8.3785 
   H  34    2.1413     5.7438     6.6204     6.6919     7.1337     7.7807 

              H  31      H  32      H  33      H  34
              --------------------------------------------
   H  31    0.0000 
   H  32    7.1433     0.0000 
   H  33    7.7858     0.8769     0.0000 
   H  34    7.2454     1.2401     0.8768     0.0000 



ATOMIC CHARGES
   N   1   -0.2525501768
   N   2   -0.2525501768
   C   3    0.0056603777
   C   4    0.0056603777
   C   5    0.0970679280
   C   6    0.0970679280
   C   7   -0.0368746978
   C   8   -0.0368746978
   C   9   -0.0516076284
   C  10   -0.0516076284
   C  11   -0.0288432994
   C  12   -0.0288432994
   C  13    0.0315043649
   C  14    0.0315043649
   C  15   -0.0387885847
   C  16   -0.0387885847
   C  17   -0.0380067801
   C  18   -0.0380067801
   H  19    0.0624368011
   H  20    0.0624368011
   H  21    0.0832347482
   H  22    0.0832347482
   H  23    0.0277808517
   H  24    0.0277808517
   H  25    0.0277808517
   H  26    0.0277808517
   H  27    0.0277808517
   H  28    0.0277808517
   H  29    0.0278081307
   H  30    0.0278081307
   H  31    0.0278081307
   H  32    0.0278081307
   H  33    0.0278081307
   H  34    0.0278081307


BOND ANGLES
   5    1   13  Car  Nar  Car    119.563
   6    2   14  Car  Nar  Car    119.560
   5    3    8  Car  Car  Car    120.886
   5    3    9  Car  Car  Car    120.001
   8    3    9  Car  Car  Car    119.113
   6    4    7  Car  Car  Car    120.888
   6    4   10  Car  Car  Car    120.001
   7    4   10  Car  Car  Car    119.112
   1    5    3  Nar  Car  Car    120.882
   1    5    6  Nar  Car  Car    119.118
   3    5    6  Car  Car  Car    120.001
   2    6    4  Nar  Car  Car    120.881
   2    6    5  Nar  Car  Car    119.121
   4    6    5  Car  Car  Car    119.999
   4    7   12  Car  Car  Car    119.552
   4    7   16  Car  Car   C3    120.222
  12    7   16  Car  Car   C3    120.226
   3    8   11  Car  Car  Car    119.554
   3    8   15  Car  Car   C3    120.227
  11    8   15  Car  Car   C3    120.219
   3    9   10  Car  Car  Car    119.999
   3    9   19  Car  Car   HC    120.001
  10    9   19  Car  Car   HC    120.001
   4   10    9  Car  Car  Car    120.001
   4   10   20  Car  Car   HC    119.997
   9   10   20  Car  Car   HC    120.002
   8   11   13  Car  Car  Car    119.560
   8   11   17  Car  Car   C3    120.216
  13   11   17  Car  Car   C3    120.224
   7   12   14  Car  Car  Car    119.559
   7   12   18  Car  Car   C3    120.223
  14   12   18  Car  Car   C3    120.219
   1   13   11  Nar  Car  Car    119.555
   1   13   21  Nar  Car   HC    120.228
  11   13   21  Car  Car   HC    120.217
   2   14   12  Nar  Car  Car    119.561
   2   14   22  Nar  Car   HC    120.218
  12   14   22  Car  Car   HC    120.220
   8   15   23  Car   C3   HC     90.007
   8   15   24  Car   C3   HC    179.974
   8   15   25  Car   C3   HC     90.003
  23   15   24   HC   C3   HC     90.000
  23   15   25   HC   C3   HC    179.974
  24   15   25   HC   C3   HC     89.991
   7   16   26  Car   C3   HC     90.010
   7   16   27  Car   C3   HC    179.974
   7   16   28  Car   C3   HC     89.998
  26   16   27   HC   C3   HC     89.992
  26   16   28   HC   C3   HC    179.974
  27   16   28   HC   C3   HC     90.000
  11   17   32  Car   C3   HC     89.997
  11   17   33  Car   C3   HC    179.974
  11   17   34  Car   C3   HC     89.999
  32   17   33   HC   C3   HC     90.005
  32   17   34   HC   C3   HC    179.974
  33   17   34   HC   C3   HC     90.000
  12   18   29  Car   C3   HC     89.999
  12   18   30  Car   C3   HC    179.974
  12   18   31  Car   C3   HC     90.004
  29   18   30   HC   C3   HC     89.992
  29   18   31   HC   C3   HC    179.974
  30   18   31   HC   C3   HC     90.005


TORSION ANGLES
  13    1    5    3      0.026
  13    1    5    6    179.974
   5    1   13   11      0.026
   5    1   13   21    179.974
  14    2    6    4      0.026
  14    2    6    5    179.974
   6    2   14   12      0.026
   6    2   14   22    179.974
   8    3    5    1      0.026
   8    3    5    6    179.974
   9    3    5    1    179.974
   9    3    5    6      0.026
   5    3    8   11      0.026
   5    3    8   15    179.974
   9    3    8   11    179.974
   9    3    8   15      0.026
   5    3    9   10      0.026
   5    3    9   19    179.974
   8    3    9   10    179.974
   8    3    9   19      0.026
   7    4    6    2      0.026
   7    4    6    5    179.974
  10    4    6    2    179.974
  10    4    6    5      0.026
   6    4    7   12      0.026
   6    4    7   16    179.974
  10    4    7   12    179.974
  10    4    7   16      0.026
   6    4   10    9      0.026
   6    4   10   20    179.974
   7    4   10    9    179.974
   7    4   10   20      0.026
   1    5    6    2      0.026
   1    5    6    4    179.974
   3    5    6    2    179.974
   3    5    6    4      0.026
   4    7   12   14      0.026
   4    7   12   18    179.974
  16    7   12   14    179.974
  16    7   12   18      0.026
   4    7   16   26      0.026
   4    7   16   27    179.974
   4    7   16   28    179.974
  12    7   16   26    179.974
  12    7   16   27      0.026
  12    7   16   28      0.026
   3    8   11   13      0.026
   3    8   11   17    179.974
  15    8   11   13    179.974
  15    8   11   17      0.026
   3    8   15   23    179.974
   3    8   15   24      0.026
   3    8   15   25      0.026
  11    8   15   23      0.026
  11    8   15   24    179.974
  11    8   15   25    179.974
   3    9   10    4      0.026
   3    9   10   20    179.974
  19    9   10    4    179.974
  19    9   10   20      0.026
   8   11   13    1      0.026
   8   11   13   21    179.974
  17   11   13    1    179.974
  17   11   13   21      0.026
   8   11   17   32    179.974
   8   11   17   33      0.026
   8   11   17   34      0.026
  13   11   17   32      0.026
  13   11   17   33    179.974
  13   11   17   34    179.974
   7   12   14    2      0.026
   7   12   14   22    179.974
  18   12   14    2    179.974
  18   12   14   22      0.026
   7   12   18   29      0.026
   7   12   18   30      0.026
   7   12   18   31    179.974
  14   12   18   29    179.974
  14   12   18   30    179.974
  14   12   18   31      0.026