C245H274O3P14 — CID 157056379
2-[(2S,3S)-3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane;2-[(1S,2S)-2-(2-diphenylphosphanylpropan-2-yl)cyclohexyl]propan-2-yl-diphenylphosphane;bis(2-[(1S,2S)-2-(2-diphenylphosphanylpropan-2-yl)cyclopentyl]propan-2-yl-diphenylphosphane);2-[(1S,2S)-2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane;2-[(3R,4R)-4-(2-diphenylphosphanylpropan-2-yl)oxolan-3-yl]propan-2-yl-diphenylphosphane;trans-(4R,5R)-4,5-bis(2-diphenylphosphanylpropan-2-yl)cyclopentane-1,3-dione (PubChem CID 157056379) has the molecular formula C245H274O3P14 and a molecular weight of 3700.52 g/mol. Its IUPAC name is 2-[(2S,3S)-3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane;2-[(1S,2S)-2-(2-diphenylphosphanylpropan-2-yl)cyclohexyl]propan-2-yl-diphenylphosphane;bis(2-[(1S,2S)-2-(2-diphenylphosphanylpropan-2-yl)cyclopentyl]propan-2-yl-diphenylphosphane);2-[(1S,2S)-2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane;2-[(3R,4R)-4-(2-diphenylphosphanylpropan-2-yl)oxolan-3-yl]propan-2-yl-diphenylphosphane;trans-(4R,5R)-4,5-bis(2-diphenylphosphanylpropan-2-yl)cyclopentane-1,3-dione.
| Compound Name | 2-[(2S,3S)-3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane;2-[(1S,2S)-2-(2-diphenylphosphanylpropan-2-yl)cyclohexyl]propan-2-yl-diphenylphosphane;bis(2-[(1S,2S)-2-(2-diphenylphosphanylpropan-2-yl)cyclopentyl]propan-2-yl-diphenylphosphane);2-[(1S,2S)-2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane;2-[(3R,4R)-4-(2-diphenylphosphanylpropan-2-yl)oxolan-3-yl]propan-2-yl-diphenylphosphane;trans-(4R,5R)-4,5-bis(2-diphenylphosphanylpropan-2-yl)cyclopentane-1,3-dione |
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| PubChem CID | 157056379 |
| Molecular Formula | C245H274O3P14 |
| Molecular Weight | 3700.52 g/mol |
| Exact Mass | 3697.76 |
| IUPAC Name | 2-[(2S,3S)-3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane;2-[(1S,2S)-2-(2-diphenylphosphanylpropan-2-yl)cyclohexyl]propan-2-yl-diphenylphosphane;bis(2-[(1S,2S)-2-(2-diphenylphosphanylpropan-2-yl)cyclopentyl]propan-2-yl-diphenylphosphane);2-[(1S,2S)-2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane;2-[(3R,4R)-4-(2-diphenylphosphanylpropan-2-yl)oxolan-3-yl]propan-2-yl-diphenylphosphane;trans-(4R,5R)-4,5-bis(2-diphenylphosphanylpropan-2-yl)cyclopentane-1,3-dione |
| SMILES | CC(C)([C@H]1C(=O)CC(=O)[C@@H]1C(C)(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.CC(C)([C@H]1C2CCC(C2)[C@@H]1C(C)(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.CC(C)([C@H]1CCCC[C@@H]1C(C)(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.CC(C)([C@H]1CCC[C@@H]1C(C)(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.CC(C)([C@H]1CCC[C@@H]1C(C)(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.CC(C)([C@H]1COC[C@@H]1C(C)(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.CC(C)([C@H]1C[C@@H]1C(C)(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C37H42P2.C36H42P2.C35H36O2P2.2C35H40P2.C34H38OP2.C33H36P2/c1-36(2,38(30-17-9-5-10-18-30)31-19-11-6-12-20-31)34-28-25-26-29(27-28)35(34)37(3,4)39(32-21-13-7-14-22-32)33-23-15-8-16-24-33;1-35(2,37(29-19-9-5-10-20-29)30-21-11-6-12-22-30)33-27-17-18-28-34(33)36(3,4)38(31-23-13-7-14-24-31)32-25-15-8-16-26-32;1-34(2,38(26-17-9-5-10-18-26)27-19-11-6-12-20-27)32-30(36)25-31(37)33(32)35(3,4)39(28-21-13-7-14-22-28)29-23-15-8-16-24-29;2*1-34(2,36(28-18-9-5-10-19-28)29-20-11-6-12-21-29)32-26-17-27-33(32)35(3,4)37(30-22-13-7-14-23-30)31-24-15-8-16-25-31;1-33(2,36(27-17-9-5-10-18-27)28-19-11-6-12-20-28)31-25-35-26-32(31)34(3,4)37(29-21-13-7-14-22-29)30-23-15-8-16-24-30;1-32(2,34(26-17-9-5-10-18-26)27-19-11-6-12-20-27)30-25-31(30)33(3,4)35(28-21-13-7-14-22-28)29-23-15-8-16-24-29/h5-24,28-29,34-35H,25-27H2,1-4H3;5-16,19-26,33-34H,17-18,27-28H2,1-4H3;5-24,32-33H,25H2,1-4H3;2*5-16,18-25,32-33H,17,26-27H2,1-4H3;5-24,31-32H,25-26H2,1-4H3;5-24,30-31H,25H2,1-4H3/t28?,29?,34-,35-;33-,34-;3*32-,33-;31-,32-;30-,31-/m0000000/s1 |
| InChIKey | AAUPGPCWWLHHNE-ZQWJGSRISA-N |
| XLogP | 54.64 |
| TPSA | 43.37 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 56 |
| Heavy Atoms | 262 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3700.52 |
| LogP ≤ 5 | 54.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
| Structural Alerts | {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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