C192H180Cr6F30N6P12 — CID 157202157
(2S,5S)-N-bis(2,3-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(2,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(2,6-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(4-fluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;chromium (PubChem CID 157202157) has the molecular formula C192H180Cr6F30N6P12 and a molecular weight of 3825.20 g/mol. Its IUPAC name is (2S,5S)-N-bis(2,3-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(2,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(2,6-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(4-fluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;chromium.
| Compound Name | (2S,5S)-N-bis(2,3-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(2,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(2,6-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(4-fluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;chromium |
|---|---|
| PubChem CID | 157202157 |
| Molecular Formula | C192H180Cr6F30N6P12 |
| Molecular Weight | 3825.20 g/mol |
| Exact Mass | 3822.71 |
| IUPAC Name | (2S,5S)-N-bis(2,3-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(2,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(2,6-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(4-fluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;chromium |
| SMILES | CCCCN(P(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)P1[C@H](c2ccccc2)CC[C@H]1c1ccccc1.CCCCN(P(c1c(F)cccc1F)c1c(F)cccc1F)P1[C@H](c2ccccc2)CC[C@H]1c1ccccc1.CCCCN(P(c1cc(F)c(F)c(F)c1)c1cc(F)c(F)c(F)c1)P1[C@H](c2ccccc2)CC[C@H]1c1ccccc1.CCCCN(P(c1cc(F)ccc1F)c1cc(F)ccc1F)P1[C@H](c2ccccc2)CC[C@H]1c1ccccc1.CCCCN(P(c1ccc(F)cc1)c1ccc(F)cc1)P1[C@H](c2ccccc2)CC[C@H]1c1ccccc1.CCCCN(P(c1cccc(F)c1F)c1cccc(F)c1F)P1[C@H](c2ccccc2)CC[C@H]1c1ccccc1.[Cr].[Cr].[Cr].[Cr].[Cr].[Cr] |
| InChI | InChI=1S/C32H25F10NP2.C32H29F6NP2.3C32H31F4NP2.C32H33F2NP2.6Cr/c1-2-3-16-43(44-19(17-10-6-4-7-11-17)14-15-20(44)18-12-8-5-9-13-18)45(31-27(39)23(35)21(33)24(36)28(31)40)32-29(41)25(37)22(34)26(38)30(32)42;1-2-3-16-39(41-29(21-10-6-4-7-11-21)14-15-30(41)22-12-8-5-9-13-22)40(23-17-25(33)31(37)26(34)18-23)24-19-27(35)32(38)28(36)20-24;1-2-3-22-37(39(29-18-10-16-25(33)31(29)35)30-19-11-17-26(34)32(30)36)38-27(23-12-6-4-7-13-23)20-21-28(38)24-14-8-5-9-15-24;1-2-3-22-37(39(31-25(33)16-10-17-26(31)34)32-27(35)18-11-19-28(32)36)38-29(23-12-6-4-7-13-23)20-21-30(38)24-14-8-5-9-15-24;1-2-3-20-37(39(31-21-25(33)14-16-27(31)35)32-22-26(34)15-17-28(32)36)38-29(23-10-6-4-7-11-23)18-19-30(38)24-12-8-5-9-13-24;1-2-3-24-35(36(29-18-14-27(33)15-19-29)30-20-16-28(34)17-21-30)37-31(25-10-6-4-7-11-25)22-23-32(37)26-12-8-5-9-13-26;;;;;;/h4-13,19-20H,2-3,14-16H2,1H3;4-13,17-20,29-30H,2-3,14-16H2,1H3;4-19,27-28H,2-3,20-22H2,1H3;4-19,29-30H,2-3,20-22H2,1H3;4-17,21-22,29-30H,2-3,18-20H2,1H3;4-21,31-32H,2-3,22-24H2,1H3;;;;;;/t19-,20-;29-,30-;27-,28-;2*29-,30-;31-,32-;;;;;;/m000000....../s1 |
| InChIKey | AQXOTQPBZOTMHV-RXSQIBMHSA-N |
| XLogP | 57.02 |
| TPSA | 19.44 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 54 |
| Heavy Atoms | 246 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3825.20 |
| LogP ≤ 5 | 57.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
|---|