C108H95Cl2F12N33O4OsPt6-2 — CID 160704094
dichloroplatinum;bis(3,5-dimethylpyrazol-1-ide);5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methane;methanone;tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(4+);platinum;tetrakis(platinum(2+));bis(pyrazol-1-ide);pyridine-2-carboxylic acid;tetrakis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (PubChem CID 160704094) has the molecular formula C108H95Cl2F12N33O4OsPt6-2 and a molecular weight of 3578.75 g/mol. Its IUPAC name is dichloroplatinum;bis(3,5-dimethylpyrazol-1-ide);5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methane;methanone;tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(4+);platinum;tetrakis(platinum(2+));bis(pyrazol-1-ide);pyridine-2-carboxylic acid;tetrakis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).
| Compound Name | dichloroplatinum;bis(3,5-dimethylpyrazol-1-ide);5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methane;methanone;tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(4+);platinum;tetrakis(platinum(2+));bis(pyrazol-1-ide);pyridine-2-carboxylic acid;tetrakis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) |
|---|---|
| PubChem CID | 160704094 |
| Molecular Formula | C108H95Cl2F12N33O4OsPt6-2 |
| Molecular Weight | 3578.75 g/mol |
| Exact Mass | 3577.49 |
| IUPAC Name | dichloroplatinum;bis(3,5-dimethylpyrazol-1-ide);5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methane;methanone;tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(4+);platinum;tetrakis(platinum(2+));bis(pyrazol-1-ide);pyridine-2-carboxylic acid;tetrakis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) |
| SMILES | C.CC12CCC(c3c1n[n-]c3-c1nccc3ccccc13)C2(C)C.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cl[Pt]Cl.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.O=C(O)c1ccccn1.[CH-]=O.[CH-]=O.[Os+4].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].c1cn[n-]c1.c1cn[n-]c1 |
| InChI | InChI=1S/C20H20N3.4C9H5F3N3.3C9H8N3.C6H5NO2.2C5H7N2.2C3H3N2.2CHO.CH4.2ClH.Os.6Pt/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;4*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;3*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*1-4-3-5(2)7-6-4;2*1-2-4-5-3-1;2*1-2;;;;;;;;;;/h4-7,9,11,14H,8,10H2,1-3H3;4*1-5H;3*2-6H,1H3;1-4H,(H,8,9);2*3H,1-2H3;2*1-3H;2*1H;1H4;2*1H;;;;;;;/q8*-1;;6*-1;;;;+4;;5*+2/p-2 |
| InChIKey | YEPHJXHKTMKPQK-UHFFFAOYSA-L |
| XLogP | 20.75 |
| TPSA | 511.33 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 166 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3578.75 |
| LogP ≤ 5 | 20.75 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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