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(S)-(+)-(3,5-Dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine
(S)-(+)-(3,5-Dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine
ID: BP-12203
CAS:185449-80-3
Supplier:BroadPharm

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SMILES:p1(oc2c(c3c(o1)ccc1c3cccc1)c1c(cc2)cccc1)N(C)C	
FORMULA: C22H18NO2P
MASS: 359.3576
EXACT MASS: 359.1075155
INTERATOMIC DISTANCES

              P   1      C   2      C   3      O   4      O   5      C   6
              ------------------------------------------------------------------
   P   1    0.0000 
   C   2    3.1606     0.0000 
   C   3    3.2017     0.9396     0.0000 
   O   4    1.2507     2.1354     2.4756     0.0000 
   O   5    1.2471     2.8031     2.4847     1.7647     0.0000 
   C   6    2.4756     1.9376     1.2507     2.2660     1.4341     0.0000 
   C   7    2.2050     1.2507     1.8664     0.9990     2.3309     2.1884 
   C   8    4.3068     1.2508     1.9377     3.1607     4.0511     3.1232 
   C   9    4.4209     1.8665     1.2508     3.7223     3.5726     2.1667 
   N  10    1.2500     4.4100     4.4219     2.4156     2.1634     3.5668 
   C  11    2.8790     2.1654     2.9920     1.6919     3.3997     3.4381 
   C  12    3.3609     3.0369     2.1654     3.4444     2.1273     1.2500 
   C  13    4.6878     2.1655     3.0370     3.4430     4.7472     4.0970 
   C  14    4.9710     2.9921     2.1655     4.5371     3.9029     2.5014 
   C  15    4.5370     3.4381     2.5000     4.4257     3.3334     2.1654 
   C  16    4.1041     2.5000     3.4381     2.8790     4.4842     4.2210 
   C  17    5.3264     2.1667     2.4183     4.2716     4.8508     3.6625 
   C  18    5.3255     2.3036     2.1667     4.4209     4.6449     3.3096 
   C  19    2.1654     5.1245     5.3215     2.9936     3.3055     4.6355 
   C  20    2.1634     5.1744     4.9777     3.4141     2.5000     3.9044 
   C  21    6.2205     4.0304     3.3083     5.7448     5.1491     3.7521 
   C  22    5.9350     3.3083     4.0970     4.6878     5.9816     5.2418 
   C  23    6.4516     3.3096     3.6625     5.3264     6.0644     4.9100 
   C  24    6.5075     3.5499     3.3096     5.6538     5.7323     4.3333 
   C  25    6.7119     3.7521     4.3454     5.4986     6.5500     5.5803 
   C  26    6.8931     4.2509     3.7521     6.2205     5.9437     4.5100 

              C   7      C   8      C   9      N  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.1667     0.0000 
   C   9    3.0353     2.1884     0.0000 
   N  10    3.4076     5.5421     5.6174     0.0000 
   C  11    1.2500     2.5014     4.0304     3.8780     0.0000 
   C  12    3.4381     4.0970     2.5014     4.2296     4.6879     0.0000 
   C  13    2.5014     1.2500     3.4381     5.8431     2.1667     5.1906 
   C  14    4.0304     3.4381     1.2500     6.0598     5.1381     2.1667 
   C  15    4.1888     4.2210     2.1655     5.4669     5.4097     1.2507 
   C  16    2.1654     2.1655     4.1888     5.1285     1.2507     5.4347 
   C  17    3.3096     1.2507     1.9376     6.5761     3.7521     4.3454 
   C  18    3.5499     1.8664     1.2507     6.5635     4.2509     3.7521 
   C  19    3.9644     6.1260     6.5596     1.2507     4.0540     5.4188 
   C  20    4.3512     6.3832     6.0650     1.2471     5.0058     4.2087 
   C  21    5.1637     4.1888     2.1654     7.3084     6.1954     3.3096 
   C  22    3.7521     2.1654     4.2210     7.0781     3.3096     6.2606 
   C  23    4.3333     2.1666     3.1231     7.6945     4.5100     5.5803 
   C  24    4.7984     3.0352     2.1666     7.7314     5.4823     4.5100 
   C  25    4.5100     2.5013     4.0970     7.9141     4.3333     6.4262 
   C  26    5.4823     4.0303     2.5013     8.0586     6.3413     4.3333 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    4.6879     0.0000 
   C  15    5.4347     1.2508     0.0000 
   C  16    1.2508     5.4097     5.9378     0.0000 
   C  17    2.1654     3.0369     4.0970     3.3083     0.0000 
   C  18    2.9920     2.1654     3.3083     4.0304     0.9396     0.0000 
   C  19    6.1844     7.1347     6.6384     5.2629     7.2640     7.3861 
   C  20    6.8461     6.2653     5.4512     6.2469     7.2993     7.1423 
   C  21    5.4097     1.2507     2.1667     6.2993     3.4381     2.5000 
   C  22    1.2507     5.4347     6.3422     2.1667     2.5000     3.4381 
   C  23    2.5013     4.0970     5.2418     3.7521     1.2507     1.9376 
   C  24    4.0303     2.5013     3.7521     5.1637     1.8664     1.2507 
   C  25    2.1666     5.1905     6.2606     3.3096     2.1654     3.0369 
   C  26    5.1381     2.1666     3.3096     6.1954     2.9920     2.1654 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    2.1625     0.0000 
   C  21    8.3847     7.4800     0.0000 
   C  22    7.3623     8.0951     5.9378     0.0000 
   C  23    8.2902     8.4820     4.2210     2.1654     0.0000 
   C  24    8.5998     8.2288     2.1654     4.1888     2.1884     0.0000 
   C  25    8.3334     8.8356     5.4347     1.2507     1.2500     3.4381 
   C  26    9.0461     8.3775     1.2507     5.4097     3.4381     1.2500 

              C  25      C  26
              ----------------------
   C  25    0.0000 
   C  26    4.6879     0.0000 



ATOMIC CHARGES
   P   1    0.3883158318
   C   2    0.0373296056
   C   3    0.0373296056
   O   4   -0.4251731543
   O   5   -0.4251731543
   C   6    0.1462161856
   C   7    0.1462161856
   C   8    0.0030249695
   C   9    0.0030249695
   N  10   -0.1917424037
   C  11    0.0373308660
   C  12    0.0373308660
   C  13    0.0001980367
   C  14    0.0001980367
   C  15    0.0031233531
   C  16    0.0031233531
   C  17    0.0000996502
   C  18    0.0000996502
   C  19    0.0995599699
   C  20    0.0995599699
   C  21    0.0000025241
   C  22    0.0000025241
   C  23    0.0000012645
   C  24    0.0000012645
   C  25    0.0000000152
   C  26    0.0000000152


BOND ANGLES
   4    1    5   O2    P   O2     89.906
   4    1   10   O2    P   N3    150.018
   5    1   10   O2    P   N3    120.077
   7    2    8  Car  Car  Car    120.037
   3    2    7  Car  Car  Car    116.168
   3    2    8  Car  Car  Car    123.794
   6    3    9  Car  Car  Car    120.037
   2    3    6  Car  Car  Car    123.796
   2    3    9  Car  Car  Car    116.166
   1    4    7    P   O2  Car    156.963
   1    5    6    P   O2  Car    134.718
   3    6    5  Car  Car   O2    135.376
   3    6   12  Car  Car  Car    119.982
   5    6   12   O2  Car  Car    104.642
   2    7    4  Car  Car   O2    143.073
   2    7   11  Car  Car  Car    119.982
   4    7   11   O2  Car  Car     96.945
   2    8   17  Car  Car  Car    120.037
   2    8   13  Car  Car  Car    119.980
  13    8   17  Car  Car  Car    119.982
   3    9   14  Car  Car  Car    119.980
   3    9   18  Car  Car  Car    120.037
  14    9   18  Car  Car  Car    119.982
   1   10   19    P   N3   C3    119.982
   1   10   20    P   N3   C3    120.077
  19   10   20   C3   N3   C3    119.941
   7   11   16  Car  Car  Car    119.982
   6   12   15  Car  Car  Car    119.982
  16   13   22  Car  Car  Car    120.037
   8   13   16  Car  Car  Car    119.980
   8   13   22  Car  Car  Car    119.982
   9   14   21  Car  Car  Car    119.982
   9   14   15  Car  Car  Car    119.980
  15   14   21  Car  Car  Car    120.037
  12   15   14  Car  Car  Car    120.037
  11   16   13  Car  Car  Car    120.037
   8   17   23  Car  Car  Car    120.035
   9   18   24  Car  Car  Car    120.035
  14   21   26  Car  Car  Car    120.035
  13   22   25  Car  Car  Car    120.035
  17   23   25  Car  Car  Car    119.982
  18   24   26  Car  Car  Car    119.982
  22   25   23  Car  Car  Car    119.982
  21   26   24  Car  Car  Car    119.982


TORSION ANGLES
   8    2    7    4    179.974
   8    2    7   11      0.026
   3    2    7    4      0.026
   3    2    7   11    179.974
   9    3    6    5    179.974
   9    3    6   12      0.026
   2    3    6    5      0.026
   2    3    6   12    179.974
   7    4    1    5      0.026
   7    4    1   10    179.974
   6    5    1    4      0.026
   6    5    1   10    179.974
   3    6    5    1      0.026
  12    6    5    1    179.974
   2    7    4    1      0.026
  11    7    4    1    179.974
  17    8    2    7    179.974
  17    8    2    3      0.026
  13    8    2    7      0.026
  13    8    2    3    179.974
  14    9    3    6      0.026
  14    9    3    2    179.974
  18    9    3    6    179.974
  18    9    3    2      0.026
  19   10    1    4      0.026
  19   10    1    5    179.974
  20   10    1    4    179.974
  20   10    1    5      0.026
  16   11    7    2      0.026
  16   11    7    4    179.974
  15   12    6    3      0.026
  15   12    6    5    179.974
  22   13   16   11    179.974
   8   13   16   11      0.026
  21   14    9    3    179.974
  21   14    9   18      0.026
  15   14    9    3      0.026
  15   14    9   18    179.974
  14   15   12    6      0.026
  13   16   11    7      0.026
  23   17    8    2    179.974
  23   17    8   13      0.026
  24   18    9    3    179.974
  24   18    9   14      0.026
  26   21   14    9      0.026
  26   21   14   15    179.974
  25   22   13   16    179.974
  25   22   13    8      0.026
  25   23   17    8      0.026
  26   24   18    9      0.026
  23   25   22   13      0.026
  21   26   24   18      0.026
   6    3    2    7      0.026
   6    3    2    8    179.974
   9    3    2    7    179.974
   9    3    2    8      0.026
  12   15   14    9      0.026
  12   15   14   21    179.974
  16   13    8    2      0.026
  16   13    8   17    179.974
  22   13    8    2    179.974
  22   13    8   17      0.026
  14   21   26   24      0.026
  17   23   25   22      0.026