C117H84F16N26Pt5 — CID 159628650
6-fluoro-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;6-isocyano-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;bis(6-methyl-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide);pentakis(platinum(2+));4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-isoquinolin-3-ide (PubChem CID 159628650) has the molecular formula C117H84F16N26Pt5 and a molecular weight of 3133.50 g/mol. Its IUPAC name is 6-fluoro-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;6-isocyano-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;bis(6-methyl-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide);pentakis(platinum(2+));4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-isoquinolin-3-ide.
| Compound Name | 6-fluoro-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;6-isocyano-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;bis(6-methyl-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide);pentakis(platinum(2+));4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-isoquinolin-3-ide |
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| PubChem CID | 159628650 |
| Molecular Formula | C117H84F16N26Pt5 |
| Molecular Weight | 3133.50 g/mol |
| Exact Mass | 3131.54 |
| IUPAC Name | 6-fluoro-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;6-isocyano-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;bis(6-methyl-4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide);pentakis(platinum(2+));4-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-isoquinolin-3-ide |
| SMILES | CC(C)(c1cccc(-c2[c-]cnc(F)c2)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.CC(C)(c1cccc(-c2[c-]ncc3ccccc23)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.Cc1cc(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)[c-]cn1.Cc1cc(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)[c-]cn1.[C-]#[N+]c1cc(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)[c-]cn1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2] |
| InChI | InChI=1S/C26H18F3N5.C23H15F3N6.2C23H18F3N5.C22H15F4N5.5Pt/c1-25(2,22-11-6-12-24(32-22)34-14-13-23(33-34)26(27,28)29)21-10-5-9-20(31-21)19-16-30-15-17-7-3-4-8-18(17)19;1-22(2,17-7-4-6-16(29-17)15-10-12-28-20(14-15)27-3)18-8-5-9-21(30-18)32-13-11-19(31-32)23(24,25)26;2*1-15-14-16(10-12-27-15)17-6-4-7-18(28-17)22(2,3)19-8-5-9-21(29-19)31-13-11-20(30-31)23(24,25)26;1-21(2,16-6-3-5-15(28-16)14-9-11-27-19(23)13-14)17-7-4-8-20(29-17)31-12-10-18(30-31)22(24,25)26;;;;;/h3-13,15H,1-2H3;4-9,11-12,14H,1-2H3;2*4-9,11-12,14H,1-3H3;3-8,10-11,13H,1-2H3;;;;;/q5*-2;5*+2 |
| InChIKey | FKTBOVHIFFFQIT-UHFFFAOYSA-N |
| XLogP | 25.79 |
| TPSA | 286.81 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 164 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3133.50 |
| LogP ≤ 5 | 25.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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