C213H220N6O2P12 — CID 161031385
(2R,5R)-N-bis(3,5-diphenylphenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-[bis(furan-3-yl)phosphanyl]-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-butyl-2,5-bis(3,5-dimethylphenyl)-N-diphenylphosphanylphospholan-1-amine;(2R,5R)-N-cyclobutyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-cyclopropyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-diphenylphosphanyl-N-ethyl-2,5-diphenylphospholan-1-amine (PubChem CID 161031385) has the molecular formula C213H220N6O2P12 and a molecular weight of 3267.83 g/mol. Its IUPAC name is (2R,5R)-N-bis(3,5-diphenylphenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-[bis(furan-3-yl)phosphanyl]-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-butyl-2,5-bis(3,5-dimethylphenyl)-N-diphenylphosphanylphospholan-1-amine;(2R,5R)-N-cyclobutyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-cyclopropyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-diphenylphosphanyl-N-ethyl-2,5-diphenylphospholan-1-amine.
| Compound Name | (2R,5R)-N-bis(3,5-diphenylphenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-[bis(furan-3-yl)phosphanyl]-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-butyl-2,5-bis(3,5-dimethylphenyl)-N-diphenylphosphanylphospholan-1-amine;(2R,5R)-N-cyclobutyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-cyclopropyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-diphenylphosphanyl-N-ethyl-2,5-diphenylphospholan-1-amine |
|---|---|
| PubChem CID | 161031385 |
| Molecular Formula | C213H220N6O2P12 |
| Molecular Weight | 3267.83 g/mol |
| Exact Mass | 3265.41 |
| IUPAC Name | (2R,5R)-N-bis(3,5-diphenylphenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-[bis(furan-3-yl)phosphanyl]-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-butyl-2,5-bis(3,5-dimethylphenyl)-N-diphenylphosphanylphospholan-1-amine;(2R,5R)-N-cyclobutyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-cyclopropyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-diphenylphosphanyl-N-ethyl-2,5-diphenylphospholan-1-amine |
| SMILES | CCCCN(P(c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1)P1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1.CCCCN(P(c1ccccc1)c1ccccc1)P1[C@H](c2cc(C)cc(C)c2)CC[C@H]1c1cc(C)cc(C)c1.CCCCN(P(c1ccoc1)c1ccoc1)P1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1.CCN(P(c1ccccc1)c1ccccc1)P1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1.c1ccc([C@H]2CC[C@H](c3ccccc3)P2N(C2CC2)P(c2ccccc2)c2ccccc2)cc1.c1ccc([C@H]2CC[C@H](c3ccccc3)P2N(C2CCC2)P(c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C56H51NP2.C36H43NP2.C32H33NP2.C31H31NP2.C30H31NP2.C28H31NO2P2/c1-2-3-36-57(59-55(47-30-18-8-19-31-47)34-35-56(59)48-32-20-9-21-33-48)58(53-39-49(43-22-10-4-11-23-43)37-50(40-53)44-24-12-5-13-25-44)54-41-51(45-26-14-6-15-27-45)38-52(42-54)46-28-16-7-17-29-46;1-6-7-20-37(38(33-14-10-8-11-15-33)34-16-12-9-13-17-34)39-35(31-23-27(2)21-28(3)24-31)18-19-36(39)32-25-29(4)22-30(5)26-32;1-5-14-26(15-6-1)31-24-25-32(27-16-7-2-8-17-27)35(31)33(28-18-13-19-28)34(29-20-9-3-10-21-29)30-22-11-4-12-23-30;1-5-13-25(14-6-1)30-23-24-31(26-15-7-2-8-16-26)34(30)32(27-21-22-27)33(28-17-9-3-10-18-28)29-19-11-4-12-20-29;1-2-31(32(27-19-11-5-12-20-27)28-21-13-6-14-22-28)33-29(25-15-7-3-8-16-25)23-24-30(33)26-17-9-4-10-18-26;1-2-3-18-29(32(25-16-19-30-21-25)26-17-20-31-22-26)33-27(23-10-6-4-7-11-23)14-15-28(33)24-12-8-5-9-13-24/h4-33,37-42,55-56H,2-3,34-36H2,1H3;8-17,21-26,35-36H,6-7,18-20H2,1-5H3;1-12,14-17,20-23,28,31-32H,13,18-19,24-25H2;1-20,27,30-31H,21-24H2;3-22,29-30H,2,23-24H2,1H3;4-13,16-17,19-22,27-28H,2-3,14-15,18H2,1H3/t55-,56-;35-,36-;31-,32-;30-,31-;29-,30-;27-,28-/m101111/s1 |
| InChIKey | TZQYJMKFUVKLAY-AWAILZSPSA-N |
| XLogP | 58.28 |
| TPSA | 45.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 52 |
| Heavy Atoms | 233 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3267.83 |
| LogP ≤ 5 | 58.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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