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3-(1,1-bis(4-methoxyphenyl)but-1-en-2-yl)-1H-indole 3-[1-ethyl-2,2-bis(4-methoxyphenyl)vinyl]-1H-indole
3-(1,1-bis(4-methoxyphenyl)but-1-en-2-yl)-1H-indole
3-[1-ethyl-2,2-bis(4-methoxyphenyl)vinyl]-1H-indole ID: BBC/444
Supplier:Aronis

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SMILES:c1(C(=C(c2ccc(cc2)OC)c2ccc(cc2)OC)CC)c[nH]c2c1cccc2	
FORMULA: C26H25NO2
MASS: 383.4822
EXACT MASS: 383.1885290
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.3333     0.0000 
   C   3    2.2978     1.3215     0.0000 
   C   4    1.3310     2.3722     2.7717     0.0000 
   N   5    2.1504     3.4434     4.0663     1.3334     0.0000 
   C   6    1.3210     2.3665     3.5458     2.1458     2.1435     0.0000 
   C   7    2.1530     3.4451     4.4274     2.1603     1.3334     1.3270 
   C   8    3.5169     2.2978     1.3333     4.1047     5.3925     4.6626 
   C   9    2.6621     2.3041     1.3323     2.4420     3.7567     3.9781 
   C  10    3.9836     3.5123     2.3042     3.6468     4.9063     5.2989 
   C  11    4.6095     3.5203     2.3118     4.9237     6.2549     5.8430 
   C  12    3.9875     2.6542     2.3013     4.8873     6.0696     4.8846 
   C  13    2.3041     2.6621     2.3040     1.4518     2.6230     3.4597 
   C  14    2.3020     1.3288     2.3000     3.5589     4.4274     2.7723 
   C  15    4.6041     4.7933     3.9908     3.6101     4.4409     5.7241 
   C  16    6.1026     4.8002     4.0000     6.7714     8.0528     7.1271 
   C  17    3.5146     3.9899     3.5211     2.3734     3.1082     4.5180 
   C  18    5.3208     3.9875     3.5208     6.1947     7.3963     6.1926 
   C  19    4.7813     4.5916     3.5081     4.0988     5.1823     6.0398 
   C  20    5.8016     4.6095     3.5276     6.2234     7.5491     6.9734 
   C  21    2.4181     2.9911     4.3041     3.4574     3.4027     1.3305 
   O  22    7.4119     6.0985     5.3291     8.1004     9.3797     8.4000 
   O  23    5.7890     6.0892     5.3186     4.6722     5.2700     6.8176 
   C  24    3.3990     4.6257     5.6951     3.4577     2.4195     2.2972 
   C  25    6.0971     6.6556     6.1027     4.8369     5.0960     6.9341 
   C  26    7.9833     6.6500     6.1002     8.8287    10.0510     8.8272 
   C  27    2.6658     2.3084     3.5164     3.9922     4.4994     2.4504 
   C  28    3.5819     4.3098     5.6126     4.3950     3.9604     2.3033 
   C  29    3.9514     4.9724     6.1928     4.3845     3.5701     2.6495 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    5.6697     0.0000 
   C   9    4.5021     2.3040     0.0000 
   C  10    5.7692     2.6621     1.3216     0.0000 
   C  11    6.7306     1.3417     2.6542     2.2972     0.0000 
   C  12    6.0705     1.3235     3.5148     3.9857     2.3125     0.0000 
   C  13    3.6105     3.5210     1.3333     2.2978     3.9875     4.6053 
   C  14    4.0663     2.6585     3.5204     4.6042     4.0002     2.3055 
   C  15    5.6578     4.7974     2.6585     2.3019     4.5991     6.0908 
   C  16    8.2430     2.6667     4.7972     4.6100     2.3128     2.3148 
   C  17    4.3442     4.6126     2.3086     2.6625     4.7952     5.7967 
   C  18    7.3971     2.3013     4.6053     4.7943     2.6693     1.3333 
   C  19    6.2540     3.9800     2.2875     1.3179     3.4984     5.3035 
   C  20    7.9478     2.3118     3.9875     3.5181     1.3333     2.6693 
   C  21    2.2974     5.1900     5.0162     6.3263     6.4803     5.0696 
   O  22    9.5435     3.9958     6.0961     5.8010     3.5275     3.5288 
   O  23    6.5665     6.0963     3.9863     3.5184     5.7893     7.4002 
   C  24    1.3159     6.8985     5.8180     7.0829     8.0059     7.1818 
   C  25    6.4293     7.0481     4.8032     4.6147     6.9119     8.3101 
   C  26   10.0515     4.7971     7.0379     6.9139     4.6167     3.9958 
   C  27    3.7550     3.9873     4.6125     5.7959     5.3289     3.5176 
   C  28    2.6470     6.5236     6.2369     7.5569     7.8109     6.3712 
   C  29    2.2782     7.2645     6.5658     7.8750     8.4804     7.3106 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    3.9908     0.0000 
   C  15    2.3000     6.0930     0.0000 
   C  16    6.1003     4.6204     6.9119     0.0000 
   C  17    1.3278     5.3186     1.3349     7.0456     0.0000 
   C  18    5.7983     3.5235     7.0362     1.3386     6.9139     0.0000 
   C  19    2.6477     5.7834     1.3334     5.7869     2.3064     6.0814 
   C  20    5.3208     4.8063     5.7933     1.3350     6.0986     2.3125 
   C  21    4.6970     2.7673     6.9884     7.3833     5.8193     6.2797 
   O  22    7.4099     5.8092     8.0912     1.3291     8.3137     2.3112 
   O  23    3.5106     7.3998     1.3278     8.0915     2.3000     8.3043 
   C  24    4.8995     5.0323     6.8574     9.4147     5.5265     8.4885 
   C  25    3.9935     7.9844     2.3128     9.2247     2.6657     9.3174 
   C  26    8.3091     6.1018     9.2158     2.3039     9.3164     2.6625 
   C  27    4.8013     1.3288     7.0399     5.8068     6.0972     4.6075 
   C  28    5.7580     4.0660     8.0020     8.6859     6.7579     7.5479 
   C  29    5.8308     5.0316     7.9335     9.6116     6.6224     8.5551 

              C  19      C  20      C  21      O  22      O  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    4.5929     0.0000 
   C  21    7.1947     7.4651     0.0000 
   O  22    6.9020     2.3092     8.5747     0.0000 
   O  23    2.3148     6.9077     8.1186     9.2168     0.0000 
   C  24    7.5309     9.1963     2.6578    10.6944     7.6702     0.0000 
   C  25    3.5355     8.0950     8.2638    10.3979     1.3334     7.3792 
   C  26    8.0812     3.5266     8.8032     1.3344    10.3902    11.1169 
   C  27    6.9000     6.1035     1.8300     6.9187     8.3039     4.4238 
   C  28    8.3414     8.7970     1.3336     9.8536     9.0453     2.2984 
   C  29    8.4773     9.5739     2.3028    10.8345     8.8356     1.3165 

              C  25      C  26      C  27      C  28      C  29
              -------------------------------------------------------
   C  25    0.0000 
   C  26   11.5286     0.0000 
   C  27    8.7299     7.0393     0.0000 
   C  28    9.0315    10.0156     2.9765     0.0000 
   C  29    8.6281    11.1020     4.1174     1.3308     0.0000 



ATOMIC CHARGES
   C   1    0.0166213489
   C   2   -0.0206249858
   C   3   -0.0039100288
   C   4    0.0985117096
   N   5   -0.2438475655
   C   6    0.0188424360
   C   7    0.0813437114
   C   8   -0.0001033434
   C   9   -0.0001033434
   C  10    0.0031024882
   C  11    0.0031024882
   C  12    0.0031024882
   C  13    0.0031024882
   C  14    0.0264143857
   C  15    0.1387338872
   C  16    0.1387338872
   C  17    0.0369000785
   C  18    0.0369000785
   C  19    0.0369000785
   C  20    0.0369000785
   C  21    0.0015353833
   O  22   -0.4714269525
   O  23   -0.4714269525
   C  24    0.0190976440
   C  25    0.2524665708
   C  26    0.2524665708
   C  27    0.0050224340
   C  28    0.0000983234
   C  29    0.0015446126


BOND ANGLES
   2    1    4   C2  Car  Car    125.832
   2    1    6   C2  Car  Car    126.147
   4    1    6  Car  Car  Car    108.020
   1    2    3  Car   C2   C2    119.883
   1    2   14  Car   C2   C3    119.702
   3    2   14   C2   C2   C3    120.415
   2    3    8   C2   C2  Car    119.883
   2    3    9   C2   C2  Car    120.503
   8    3    9  Car   C2  Car    119.615
   1    4    5  Car  Car  Nar    107.626
   4    5    7  Car  Nar  Car    108.207
   1    6    7  Car  Car  Car    108.794
   1    6   21  Car  Car  Car    131.555
   7    6   21  Car  Car  Car    119.652
   6    7   24  Car  Car  Car    120.730
   5    7    6  Nar  Car  Car    107.354
   5    7   24  Nar  Car  Car    131.917
   3    8   11   C2  Car  Car    119.590
   3    8   12   C2  Car  Car    120.036
  11    8   12  Car  Car  Car    120.374
   3    9   10   C2  Car  Car    120.505
   3    9   13   C2  Car  Car    119.615
  10    9   13  Car  Car  Car    119.880
   9   10   19  Car  Car  Car    120.146
   8   11   20  Car  Car  Car    119.590
   8   12   18  Car  Car  Car    120.036
   9   13   17  Car  Car  Car    120.344
   2   14   27   C2   C3   C3    120.596
  17   15   23  Car  Car   O3    119.489
  17   15   19  Car  Car  Car    119.629
  19   15   23  Car  Car   O3    120.881
  18   16   22  Car  Car   O3    120.080
  18   16   20  Car  Car  Car    119.752
  20   16   22  Car  Car   O3    120.168
  13   17   15  Car  Car  Car    119.489
  12   18   16  Car  Car  Car    120.080
  10   19   15  Car  Car  Car    120.511
  11   20   16  Car  Car  Car    120.168
   6   21   28  Car  Car  Car    119.663
  16   22   26  Car   O3   C3    119.768
  15   23   25  Car   O3   C3    120.701
   7   24   29  Car  Car  Car    119.860
  21   28   29  Car  Car  Car    119.602
  24   29   28  Car  Car  Car    120.494


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