C137H111F12N15O12Pt4-2 — CID 159135749
bis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine);9-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]carbazole;bis(5-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]pyrido[3,2-b]indole);5-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]pyrido[4,3-b]indole;bis(4-hydroxypent-3-en-2-one);platinum;bis(platinum(2+)) (PubChem CID 159135749) has the molecular formula C137H111F12N15O12Pt4-2 and a molecular weight of 3167.78 g/mol. Its IUPAC name is bis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine);9-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]carbazole;bis(5-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]pyrido[3,2-b]indole);5-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]pyrido[4,3-b]indole;bis(4-hydroxypent-3-en-2-one);platinum;bis(platinum(2+)).
| Compound Name | bis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine);9-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]carbazole;bis(5-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]pyrido[3,2-b]indole);5-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]pyrido[4,3-b]indole;bis(4-hydroxypent-3-en-2-one);platinum;bis(platinum(2+)) |
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| PubChem CID | 159135749 |
| Molecular Formula | C137H111F12N15O12Pt4-2 |
| Molecular Weight | 3167.78 g/mol |
| Exact Mass | 3165.69 |
| IUPAC Name | bis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine);9-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]carbazole;bis(5-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]pyrido[3,2-b]indole);5-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]pyrido[4,3-b]indole;bis(4-hydroxypent-3-en-2-one);platinum;bis(platinum(2+)) |
| SMILES | CC(=O)C=C(C)O.CC(=O)C=C(C)O.CN(C)c1ccnc(-c2[c-]c(C(F)(F)F)cc(C(F)(F)F)c2)c1.CN(C)c1ccnc(-c2[c-]c(C(F)(F)F)cc(C(F)(F)F)c2)c1.COc1c[c-]c(-c2cc(-n3c4ccccc4c4ccccc43)ccn2)c(OC)c1.COc1c[c-]c(-c2cc(-n3c4ccccc4c4cnccc43)ccn2)c(OC)c1.COc1c[c-]c(-c2cc(-n3c4ccccc4c4ncccc43)ccn2)c(OC)c1.COc1c[c-]c(-c2cc(-n3c4ccccc4c4ncccc43)ccn2)c(OC)c1.[Pt+2].[Pt+2].[Pt].[Pt] |
| InChI | InChI=1S/C25H19N2O2.3C24H18N3O2.2C15H11F6N2.2C5H8O2.4Pt/c1-28-18-11-12-21(25(16-18)29-2)22-15-17(13-14-26-22)27-23-9-5-3-7-19(23)20-8-4-6-10-24(20)27;2*1-28-17-9-10-18(23(15-17)29-2)20-14-16(11-13-25-20)27-21-7-4-3-6-19(21)24-22(27)8-5-12-26-24;1-28-17-7-8-19(24(14-17)29-2)21-13-16(9-12-26-21)27-22-6-4-3-5-18(22)20-15-25-11-10-23(20)27;2*1-23(2)12-3-4-22-13(8-12)9-5-10(14(16,17)18)7-11(6-9)15(19,20)21;2*1-4(6)3-5(2)7;;;;/h3-11,13-16H,1-2H3;2*3-9,11-15H,1-2H3;3-7,9-15H,1-2H3;2*3-5,7-8H,1-2H3;2*3,6H,1-2H3;;;;/q6*-1;;;;;2*+2 |
| InChIKey | TZXGLDNTCHQZEF-UHFFFAOYSA-N |
| XLogP | 32.21 |
| TPSA | 290.65 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 180 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3167.78 |
| LogP ≤ 5 | 32.21 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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