C162H232Cr7N8O4P7+7 — CID 158991714
bis(4-methoxyphenyl)-[2-(2,4,6-trimethylphenyl)iminoethyl]phosphanium;carbanide;heptakis(chromium(2+));2-(2,6-dimethylphenyl)iminoethyl-bis(4-methoxyphenyl)phosphanium;2-(2,6-dimethylphenyl)iminoethyl-diphenylphosphanium;2-(2,6-dimethylphenyl)iminoethyl-di(propan-2-yl)phosphanium;[[N-(2,6-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-di(propan-2-yl)phosphanium;diphenyl-[2-(2,4,6-trimethylphenyl)iminoethyl]phosphanium;di(propan-2-yl)-[2-(2,4,6-trimethylphenyl)iminoethyl]phosphanium (PubChem CID 158991714) has the molecular formula C162H232Cr7N8O4P7+7 and a molecular weight of 2936.48 g/mol. Its IUPAC name is bis(4-methoxyphenyl)-[2-(2,4,6-trimethylphenyl)iminoethyl]phosphanium;carbanide;heptakis(chromium(2+));2-(2,6-dimethylphenyl)iminoethyl-bis(4-methoxyphenyl)phosphanium;2-(2,6-dimethylphenyl)iminoethyl-diphenylphosphanium;2-(2,6-dimethylphenyl)iminoethyl-di(propan-2-yl)phosphanium;[[N-(2,6-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-di(propan-2-yl)phosphanium;diphenyl-[2-(2,4,6-trimethylphenyl)iminoethyl]phosphanium;di(propan-2-yl)-[2-(2,4,6-trimethylphenyl)iminoethyl]phosphanium.
| Compound Name | bis(4-methoxyphenyl)-[2-(2,4,6-trimethylphenyl)iminoethyl]phosphanium;carbanide;heptakis(chromium(2+));2-(2,6-dimethylphenyl)iminoethyl-bis(4-methoxyphenyl)phosphanium;2-(2,6-dimethylphenyl)iminoethyl-diphenylphosphanium;2-(2,6-dimethylphenyl)iminoethyl-di(propan-2-yl)phosphanium;[[N-(2,6-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-di(propan-2-yl)phosphanium;diphenyl-[2-(2,4,6-trimethylphenyl)iminoethyl]phosphanium;di(propan-2-yl)-[2-(2,4,6-trimethylphenyl)iminoethyl]phosphanium |
|---|---|
| PubChem CID | 158991714 |
| Molecular Formula | C162H232Cr7N8O4P7+7 |
| Molecular Weight | 2936.48 g/mol |
| Exact Mass | 2934.22 |
| IUPAC Name | bis(4-methoxyphenyl)-[2-(2,4,6-trimethylphenyl)iminoethyl]phosphanium;carbanide;heptakis(chromium(2+));2-(2,6-dimethylphenyl)iminoethyl-bis(4-methoxyphenyl)phosphanium;2-(2,6-dimethylphenyl)iminoethyl-diphenylphosphanium;2-(2,6-dimethylphenyl)iminoethyl-di(propan-2-yl)phosphanium;[[N-(2,6-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-di(propan-2-yl)phosphanium;diphenyl-[2-(2,4,6-trimethylphenyl)iminoethyl]phosphanium;di(propan-2-yl)-[2-(2,4,6-trimethylphenyl)iminoethyl]phosphanium |
| SMILES | COc1ccc([PH+](C/C=N/c2c(C)cc(C)cc2C)c2ccc(OC)cc2)cc1.COc1ccc([PH+](C/C=N/c2c(C)cccc2C)c2ccc(OC)cc2)cc1.Cc1cc(C)c(/N=C/C[PH+](C(C)C)C(C)C)c(C)c1.Cc1cc(C)c(/N=C/C[PH+](c2ccccc2)c2ccccc2)c(C)c1.Cc1cccc(C)c1/N=C(/N[PH+](C(C)C)C(C)C)c1ccccc1.Cc1cccc(C)c1/N=C/C[PH+](C(C)C)C(C)C.Cc1cccc(C)c1/N=C/C[PH+](c1ccccc1)c1ccccc1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Cr+2].[Cr+2].[Cr+2].[Cr+2].[Cr+2].[Cr+2].[Cr+2] |
| InChI | InChI=1S/C25H28NO2P.C24H26NO2P.C23H24NP.C22H22NP.C21H29N2P.C17H28NP.C16H26NP.14CH3.7Cr/c1-18-16-19(2)25(20(3)17-18)26-14-15-29(23-10-6-21(27-4)7-11-23)24-12-8-22(28-5)9-13-24;1-18-6-5-7-19(2)24(18)25-16-17-28(22-12-8-20(26-3)9-13-22)23-14-10-21(27-4)11-15-23;1-18-16-19(2)23(20(3)17-18)24-14-15-25(21-10-6-4-7-11-21)22-12-8-5-9-13-22;1-18-10-9-11-19(2)22(18)23-16-17-24(20-12-5-3-6-13-20)21-14-7-4-8-15-21;1-15(2)24(16(3)4)23-21(19-13-8-7-9-14-19)22-20-17(5)11-10-12-18(20)6;1-12(2)19(13(3)4)9-8-18-17-15(6)10-14(5)11-16(17)7;1-12(2)18(13(3)4)11-10-17-16-14(5)8-7-9-15(16)6;;;;;;;;;;;;;;;;;;;;;/h6-14,16-17H,15H2,1-5H3;5-16H,17H2,1-4H3;4-14,16-17H,15H2,1-3H3;3-16H,17H2,1-2H3;7-16H,1-6H3,(H,22,23);8,10-13H,9H2,1-7H3;7-10,12-13H,11H2,1-6H3;14*1H3;;;;;;;/q;;;;;;;14*-1;7*+2/p+7/b26-14+;25-16+;24-14+;23-16+;;18-8+;17-10+;;;;;;;;;;;;;;;;;;;;; |
| InChIKey | SSYJNWQZDNGMGX-AAGNDNPFSA-U |
| XLogP | 42.72 |
| TPSA | 135.47 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 188 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2936.48 |
| LogP ≤ 5 | 42.72 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 11 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
|---|