C211H241FeNP12 — CID 162274467
carbanide;cyclopentane;dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methylphenyl)-3-methylphenyl]phosphane;(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;(1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopentyl)-N-methylethanamine;[2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;iron(2+);[(2S)-4-methylpentan-2-yl]-diphenylphosphane;2-methylpropyl(diphenyl)phosphane (PubChem CID 162274467) has the molecular formula C211H241FeNP12 and a molecular weight of 3218.79 g/mol. Its IUPAC name is carbanide;cyclopentane;dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methylphenyl)-3-methylphenyl]phosphane;(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;(1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopentyl)-N-methylethanamine;[2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;iron(2+);[(2S)-4-methylpentan-2-yl]-diphenylphosphane;2-methylpropyl(diphenyl)phosphane.
| Compound Name | carbanide;cyclopentane;dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methylphenyl)-3-methylphenyl]phosphane;(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;(1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopentyl)-N-methylethanamine;[2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;iron(2+);[(2S)-4-methylpentan-2-yl]-diphenylphosphane;2-methylpropyl(diphenyl)phosphane |
|---|---|
| PubChem CID | 162274467 |
| Molecular Formula | C211H241FeNP12 |
| Molecular Weight | 3218.79 g/mol |
| Exact Mass | 3216.51 |
| IUPAC Name | carbanide;cyclopentane;dicyclohexyl-[2-(2-dicyclohexylphosphanyl-6-methylphenyl)-3-methylphenyl]phosphane;(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;(1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopentyl)-N-methylethanamine;[2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;iron(2+);[(2S)-4-methylpentan-2-yl]-diphenylphosphane;2-methylpropyl(diphenyl)phosphane |
| SMILES | C1CCCC1.CC(C)CP(c1ccccc1)c1ccccc1.CC(C)C[C@H](C)P(c1ccccc1)c1ccccc1.C[C@@H]1CC[C@@H](C)P1c1ccccc1P1[C@H](C)CC[C@H]1C.C[C@H](C1CCCC1P(c1ccccc1)c1ccccc1)N(C)P(c1ccccc1)c1ccccc1.Cc1cccc(P(C2CCCCC2)C2CCCCC2)c1-c1c(C)cccc1P(C1CCCCC1)C1CCCCC1.Cc1cccc(P(c2ccccc2)c2ccccc2)c1-c1c(C)cccc1P(c1ccccc1)c1ccccc1.[CH3-].[CH3-].[Fe+2].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1 |
| InChI | InChI=1S/C44H32P2.C38H56P2.C38H32P2.C32H35NP2.C18H28P2.C18H23P.C16H19P.C5H10.2CH3.Fe/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;2*1-29-17-15-27-35(39(31-19-7-3-8-20-31)32-21-9-4-10-22-32)37(29)38-30(2)18-16-28-36(38)40(33-23-11-5-12-24-33)34-25-13-6-14-26-34;1-26(33(2)35(29-20-11-5-12-21-29)30-22-13-6-14-23-30)31-24-15-25-32(31)34(27-16-7-3-8-17-27)28-18-9-4-10-19-28;1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4;1-15(2)14-16(3)19(17-10-6-4-7-11-17)18-12-8-5-9-13-18;1-14(2)13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-2-4-5-3-1;;;/h1-32H;15-18,27-28,31-34H,3-14,19-26H2,1-2H3;3-28H,1-2H3;3-14,16-23,26,31-32H,15,24-25H2,1-2H3;5-8,13-16H,9-12H2,1-4H3;4-13,15-16H,14H2,1-3H3;3-12,14H,13H2,1-2H3;1-5H2;2*1H3;/q;;;;;;;;2*-1;+2/t;;;26-,31?,32?;13-,14-,15-,16-;16-;;;;;/m...110...../s1 |
| InChIKey | BZXYBSHYLSZADF-DREXOFQWSA-N |
| XLogP | 51.06 |
| TPSA | 3.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 225 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3218.79 |
| LogP ≤ 5 | 51.06 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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