C116H106Cl2F3N26O4Os2P2Pt3 — CID 158980344
dichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(methyl(diphenyl)phosphanium);3-methyl-5-phenylpyrazol-1-ide;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);osmium(5+);platinum;platinum(2+);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 158980344) has the molecular formula C116H106Cl2F3N26O4Os2P2Pt3 and a molecular weight of 3083.84 g/mol. Its IUPAC name is dichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(methyl(diphenyl)phosphanium);3-methyl-5-phenylpyrazol-1-ide;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);osmium(5+);platinum;platinum(2+);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
| Compound Name | dichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(methyl(diphenyl)phosphanium);3-methyl-5-phenylpyrazol-1-ide;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);osmium(5+);platinum;platinum(2+);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine |
|---|---|
| PubChem CID | 158980344 |
| Molecular Formula | C116H106Cl2F3N26O4Os2P2Pt3 |
| Molecular Weight | 3083.84 g/mol |
| Exact Mass | 3084.59 |
| IUPAC Name | dichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(methyl(diphenyl)phosphanium);3-methyl-5-phenylpyrazol-1-ide;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);osmium(5+);platinum;platinum(2+);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine |
| SMILES | CC12CCC(c3c1c[n-]c3-c1nccc3ccccc13)C2(C)C.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.Cc1cc(-c2[c-]cccc2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1n[n-]c(-c2ccccn2)n1.Cc1n[n-]c(-c2ccccn2)n1.Cc1n[n-]c(-c2ccccn2)n1.Cl[Pt]Cl.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.O=C(O)c1ccccn1.[CH-]=O.[CH-]=O.[Os+2].[Os+5].[Pt+2].[Pt] |
| InChI | InChI=1S/C21H21N2.2C13H13P.C10H8N2.C9H5F3N3.2C9H8N3.3C8H7N4.C6H5NO2.2CHO.2ClH.2Os.3Pt/c1-20(2)15-8-10-21(20,3)16-12-23-19(17(15)16)18-14-7-5-4-6-13(14)9-11-22-18;2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-8-7-10(12-11-8)9-5-3-2-4-6-9;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-7-6-9(12-11-7)8-4-2-3-5-10-8;3*1-6-10-8(12-11-6)7-4-2-3-5-9-7;8-6(9)5-3-1-2-4-7-5;2*1-2;;;;;;;/h4-7,9,11-12,15H,8,10H2,1-3H3;2*2-11H,1H3;2-5,7H,1H3;1-5H;2*2-6H,1H3;3*2-5H,1H3;1-4H,(H,8,9);2*1H;2*1H;;;;;/q-1;;;-2;6*-1;;2*-1;;;+2;+5;;2*+2 |
| InChIKey | WUJWWJFGMSDFGL-UHFFFAOYSA-N |
| XLogP | 20.76 |
| TPSA | 416.26 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 158 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3083.84 |
| LogP ≤ 5 | 20.76 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 21 |
| 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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