C169H154Cl2F3N33O4Os3P4Pt3+2 — CID 161303240
dichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(methyl(diphenyl)phosphanium);hexakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);bis(osmium(2+));osmium(4+);platinum;platinum(2+);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(triphenylphosphanium) (PubChem CID 161303240) has the molecular formula C169H154Cl2F3N33O4Os3P4Pt3+2 and a molecular weight of 4119.04 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;bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(methyl(diphenyl)phosphanium);hexakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);bis(osmium(2+));osmium(4+);platinum;platinum(2+);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;bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(methyl(diphenyl)phosphanium);hexakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);bis(osmium(2+));osmium(4+);platinum;platinum(2+);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(triphenylphosphanium) |
|---|---|
| PubChem CID | 161303240 |
| Molecular Formula | C169H154Cl2F3N33O4Os3P4Pt3+2 |
| Molecular Weight | 4119.04 g/mol |
| Exact Mass | 4120.89 |
| 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;bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(methyl(diphenyl)phosphanium);hexakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);bis(osmium(2+));osmium(4+);platinum;platinum(2+);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.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]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+2].[Os+4].[Pt+2].[Pt].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C20H20N3.2C18H15P.2C13H13P.C9H5F3N3.6C9H8N3.2C8H7N4.C6H5NO2.2CHO.2ClH.3Os.3Pt/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;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*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;2*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;;;;;;;;/h4-7,9,11,14H,8,10H2,1-3H3;2*1-15H;2*2-11H,1H3;1-5H;6*2-6H,1H3;2*2-5H,1H3;1-4H,(H,8,9);2*1H;2*1H;;;;;;/q-1;;;;;9*-1;;2*-1;;;2*+2;+4;;2*+2/p+2 |
| InChIKey | FEYBAMUMJBSUMH-UHFFFAOYSA-P |
| XLogP | 29.52 |
| TPSA | 508.91 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 221 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4119.04 |
| LogP ≤ 5 | 29.52 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 26 |
| 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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