C159H145Cl2F3N25O4Os3P4Pt2+ — CID 157457869
dichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;methyl(diphenyl)phosphanium;hexakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);methyl(triphenyl)-λ5-phosphane;bis(osmium(2+));osmium(4+);platinum;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(triphenylphosphanium) (PubChem CID 157457869) has the molecular formula C159H145Cl2F3N25O4Os3P4Pt2+ and a molecular weight of 3682.72 g/mol. Its IUPAC name is dichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;methyl(diphenyl)phosphanium;hexakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);methyl(triphenyl)-λ5-phosphane;bis(osmium(2+));osmium(4+);platinum;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(triphenylphosphanium).
| Compound Name | dichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;methyl(diphenyl)phosphanium;hexakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);methyl(triphenyl)-λ5-phosphane;bis(osmium(2+));osmium(4+);platinum;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(triphenylphosphanium) |
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| PubChem CID | 157457869 |
| Molecular Formula | C159H145Cl2F3N25O4Os3P4Pt2+ |
| Molecular Weight | 3682.72 g/mol |
| Exact Mass | 3684.83 |
| IUPAC Name | dichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;methyl(diphenyl)phosphanium;hexakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);methyl(triphenyl)-λ5-phosphane;bis(osmium(2+));osmium(4+);platinum;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(triphenylphosphanium) |
| SMILES | CC12CCC(c3c1n[n-]c3-c1nccc3ccccc13)C2(C)C.C[PH+](c1ccccc1)c1ccccc1.C[PH](c1ccccc1)(c1ccccc1)c1ccccc1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cl[Pt]Cl.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.O=C(O)c1ccccn1.[CH-]=O.[CH-]=O.[Os+2].[Os+2].[Os+4].[Pt].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C20H20N3.C19H19P.2C18H15P.C13H13P.C9H5F3N3.6C9H8N3.C6H5NO2.2CHO.2ClH.3Os.2Pt/c1-19(2)14-8-10-20(19,3)18-15(14)17(22-23-18)16-13-7-5-4-6-12(13)9-11-21-16;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;6*1-7-6-9(12-11-7)8-4-2-3-5-10-8;8-6(9)5-3-1-2-4-7-5;2*1-2;;;;;;;/h4-7,9,11,14H,8,10H2,1-3H3;2-16,20H,1H3;2*1-15H;2-11H,1H3;1-5H;6*2-6H,1H3;1-4H,(H,8,9);2*1H;2*1H;;;;;/q-1;;;;;7*-1;;2*-1;;;2*+2;+4;;+2/p+1 |
| InChIKey | MNWBWDFVLDXPSY-UHFFFAOYSA-O |
| XLogP | 28.78 |
| TPSA | 403.37 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 202 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3682.72 |
| LogP ≤ 5 | 28.78 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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