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N-Phenyl-2-(dicyclohexylphosphino)indol
N-Phenyl-2-(dicyclohexylphosphino)indol
ID: BP-12238
CAS:740815-36-5
Supplier:BroadPharm

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SMILES:c1(n(c2c(c1)cccc2)c1ccccc1)P(C1CCCCC1)C1CCCCC1	
FORMULA: C26H32NP
MASS: 389.5127
EXACT MASS: 389.2272367
INTERATOMIC DISTANCES

              C   1      N   2      C   3      P   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.2502     0.0000 
   C   3    1.2491     2.0200     0.0000 
   P   4    1.6260     2.5686     2.5690     0.0000 
   C   5    2.0250     1.2502     2.0228     3.6063     0.0000 
   C   6    2.0228     2.0200     1.2500     3.6050     1.2491     0.0000 
   C   7    2.2269     1.2500     3.2319     2.9552     2.2269     3.2319 
   C   8    2.5305     3.0398     3.6698     1.2462     4.2502     4.5459 
   C   9    2.4593     3.6183     2.9293     1.2521     4.4707     4.1455 
   C  10    3.2561     2.2833     3.2032     4.7980     1.2478     2.1627 
   C  11    3.2566     3.2033     2.2849     4.7996     2.1639     1.2509 
   C  12    3.3461     2.1654     4.1626     4.2059     2.6094     3.8235 
   C  13    2.6094     2.1655     3.8235     2.5697     3.3461     4.1626 
   C  14    3.6865     4.2892     4.7290     2.1625     5.4904     5.7081 
   C  15    2.6359     3.8859     2.5236     2.1649     4.4239     3.7630 
   C  16    3.6380     4.7169     4.1804     2.1659     5.6628     5.3945 
   C  17    2.7759     2.7299     4.0241     2.1660     3.9736     4.6025 
   C  18    4.1374     3.3749     3.7323     5.7497     2.1636     2.5007 
   C  19    4.1367     3.7306     3.3756     5.7495     2.4990     2.1648 
   C  20    3.8591     3.3075     5.0667     3.6642     4.3909     5.3273 
   C  21    4.3909     3.3074     5.3272     4.9510     3.8590     5.0667 
   C  22    4.0189     3.8459     5.2679     3.3043     5.0549     5.7925 
   C  23    4.6977     5.0756     5.8278     3.3063     6.3198     6.7078 
   C  24    3.8769     5.1251     3.6107     3.3059     5.5884     4.7997 
   C  25    4.6179     5.7814     4.9146     3.3077     6.6133     6.1633 
   C  26    4.5963     3.7500     5.7052     4.7307     4.5963     5.7052 
   C  27    4.8321     4.8947     6.0545     3.7487     6.1354     6.7439 
   C  28    4.7147     5.9533     4.6834     3.7506     6.5820     5.9123 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.8923     0.0000 
   C   9    4.1769     2.1660     0.0000 
   C  10    2.8219     5.3141     5.7112     0.0000 
   C  11    4.3530     5.7863     5.2015     2.4969     0.0000 
   C  12    1.2507     4.0634     5.4246     2.6163     4.7402     0.0000 
   C  13    1.2508     2.0087     3.8094     4.0648     5.3672     2.1667 
   C  14    4.0878     1.2512     2.5015     6.5653     6.9300     5.2027 
   C  15    4.7397     3.3044     1.2473     5.6595     4.6097     5.9368 
   C  16    5.0785     2.5014     1.2512     6.8906     6.4497     6.3231 
   C  17    2.0878     1.2521     3.3115     4.8322     5.8454     3.0792 
   C  18    4.0561     6.4065     6.5187     1.2478     2.1654     3.8309 
   C  19    4.6860     6.6078     6.3001     2.1640     1.2478     4.7446 
   C  20    2.1655     2.8013     4.8532     4.8949     6.4948     2.5014 
   C  21    2.1654     4.5082     6.2022     3.7792     5.9870     1.2500 
   C  22    2.9473     2.1648     4.3308     5.7692     7.0228     3.6067 
   C  23    4.5884     2.1684     3.7527     7.2847     7.9515     5.5322 
   C  24    5.9866     4.3269     2.1609     6.8046     5.4740     7.1860 
   C  25    6.2589     3.7506     2.1649     7.8589     7.0939     7.5089 
   C  26    2.5000     3.9988     5.9607     4.7789     6.7601     2.1654 
   C  27    4.1282     2.5025     4.5091     6.9395     7.9922     4.8554 
   C  28    6.6492     4.5069     2.4985     7.8217     6.6710     7.8885 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    3.0586     0.0000 
   C  15    4.6626     3.7488     0.0000 
   C  16    4.4533     2.1660     2.1655     0.0000 
   C  17    0.9126     2.1659     4.3309     3.7535     0.0000 
   C  18    5.2899     7.6506     6.2557     7.7447     6.0262     0.0000 
   C  19    5.8429     7.8095     5.8063     7.5510     6.4602     1.2531 
   C  20    1.2500     3.5150     5.8131     5.2973     1.5577     6.1427 
   C  21    2.5014     5.4834     6.8773     6.9434     3.3280     4.9422 
   C  22    1.7179     2.4983     5.4460     4.5068     1.2472     7.0015 
   C  23    3.3888     1.2512     5.0000     3.3085     2.5014     8.4424 
   C  24    5.8570     4.5050     1.2492     2.4985     5.4487     7.2974 
   C  25    5.6925     3.3078     2.5015     1.2492     5.0028     8.6086 
   C  26    2.1655     4.7655     6.8242     6.5000     2.7470     5.9960 
   C  27    2.8778     2.1648     5.7274     4.3308     2.1654     8.1559 
   C  28    6.2975     4.3310     2.1660     2.1650     5.7309     8.4110 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    6.8461     0.0000 
   C  21    5.9364     2.1667     0.0000 
   C  22    7.5537     1.2389     3.4047     0.0000 
   C  23    8.7384     3.3857     5.5303     2.1648     0.0000 
   C  24    6.7113     6.9689     8.1178     6.4917     5.7274     0.0000 
   C  25    8.2677     6.5454     8.1744     5.7274     4.3309     2.1656 
   C  26    6.8860     1.2508     1.2507     2.4194     4.5839     8.0225 
   C  27    8.6253     2.4603     4.6202     1.2512     1.2492     6.6126 
   C  28    7.8971     7.2881     8.6998     6.6136     5.4501     1.2503 

              C  25      C  26      C  27      C  28
              --------------------------------------------
   C  25    0.0000 
   C  26    7.7491     0.0000 
   C  27    5.4486     3.5474     0.0000 
   C  28    1.2513     8.4338     6.4958     0.0000 



ATOMIC CHARGES
   C   1    0.0571135873
   N   2   -0.3065428960
   C   3    0.0187380225
   P   4   -0.0388283271
   C   5    0.0639832906
   C   6    0.0175820263
   C   7    0.0639816521
   C   8    0.0225427689
   C   9    0.0225427689
   C  10    0.0175169509
   C  11    0.0014935866
   C  12    0.0175169324
   C  13    0.0175169324
   C  14    0.0046612516
   C  15    0.0046612516
   C  16    0.0046612516
   C  17    0.0046612516
   C  18    0.0014919289
   C  19    0.0000971223
   C  20    0.0014919288
   C  21    0.0014919288
   C  22    0.0003700660
   C  23    0.0003700660
   C  24    0.0003700660
   C  25    0.0003700660
   C  26    0.0000971041
   C  27    0.0000237104
   C  28    0.0000237104


BOND ANGLES
   2    1    3  Nar  Car  Car    107.845
   2    1    4  Nar  Car    P    126.019
   3    1    4  Car  Car    P    126.136
   1    2    5  Car  Nar  Car    108.165
   1    2    7  Car  Nar  Car    125.918
   5    2    7  Car  Nar  Car    125.918
   1    3    6  Car  Car  Car    108.072
   1    4    8  Car    P   C3    122.981
   1    4    9  Car    P   C3    116.800
   8    4    9   C3    P   C3    120.219
   2    5   10  Nar  Car  Car    132.131
   2    5    6  Nar  Car  Car    107.845
   6    5   10  Car  Car  Car    120.023
   3    6   11  Car  Car  Car    132.032
   3    6    5  Car  Car  Car    108.072
   5    6   11  Car  Car  Car    119.896
   2    7   12  Nar  Car  Car    119.982
   2    7   13  Nar  Car  Car    119.980
  12    7   13  Car  Car  Car    120.037
   4    8   14    P   C3   C3    119.972
   4    8   17    P   C3   C3    120.219
  14    8   17   C3   C3   C3    119.809
   4    9   15    P   C3   C3    120.032
   4    9   16    P   C3   C3    119.809
  15    9   16   C3   C3   C3    120.158
   5   10   18  Car  Car  Car    120.207
   6   11   19  Car  Car  Car    120.085
   7   12   21  Car  Car  Car    119.982
   7   13   20  Car  Car  Car    119.980
   8   14   23   C3   C3   C3    120.109
   9   15   24   C3   C3   C3    119.896
   9   16   25   C3   C3   C3    119.949
   8   17   22   C3   C3   C3    120.031
  10   18   19  Car  Car  Car    119.829
  11   19   18  Car  Car  Car    119.959
  13   20   26  Car  Car  Car    119.980
  12   21   26  Car  Car  Car    119.982
  17   22   27   C3   C3   C3    120.160
  14   23   27   C3   C3   C3    119.945
  15   24   28   C3   C3   C3    120.132
  16   25   28   C3   C3   C3    119.943
  20   26   21  Car  Car  Car    120.037
  22   27   23   C3   C3   C3    119.945
  24   28   25   C3   C3   C3    119.921


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