C191H165F7N10O8Pt4-4 — CID 162278872
1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol;7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;1-(4-carbazol-9-ylphenyl)-5-hydroxyhex-4-en-3-one;bis(9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole);2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 162278872) has the molecular formula C191H165F7N10O8Pt4-4 and a molecular weight of 3641.78 g/mol. Its IUPAC name is 1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol;7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;1-(4-carbazol-9-ylphenyl)-5-hydroxyhex-4-en-3-one;bis(9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole);2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.
| Compound Name | 1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol;7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;1-(4-carbazol-9-ylphenyl)-5-hydroxyhex-4-en-3-one;bis(9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole);2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine |
|---|---|
| PubChem CID | 162278872 |
| Molecular Formula | C191H165F7N10O8Pt4-4 |
| Molecular Weight | 3641.78 g/mol |
| Exact Mass | 3639.13 |
| IUPAC Name | 1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol;7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;1-(4-carbazol-9-ylphenyl)-5-hydroxyhex-4-en-3-one;bis(9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole);2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine |
| SMILES | CC(C)(C)C(O)=CC(=O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)C(O)=CC(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)C(O)C=C(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(O)=CC(=O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.Cc1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccc(CCc3ccc(-n4c5ccccc5c5ccccc54)cc3)cn2)c(F)c1.Fc1c[c-]c(-c2ccc(CCc3ccc(-n4c5ccccc5c5ccccc54)cc3)cn2)c(F)c1.[Pt].[Pt].[Pt].[Pt] |
| InChI | InChI=1S/2C31H21F2N2.2C27H29NO2.C27H27NO2.C24H21NO2.C12H7F3N.C12H10N.4Pt/c2*32-23-14-17-27(28(33)19-23)29-18-13-22(20-34-29)10-9-21-11-15-24(16-12-21)35-30-7-3-1-5-25(30)26-6-2-4-8-31(26)35;3*1-27(2,3)26(30)18-21(29)17-14-19-12-15-20(16-13-19)28-24-10-6-4-8-22(24)23-9-5-7-11-25(23)28;1-17(26)16-20(27)15-12-18-10-13-19(14-11-18)25-23-8-4-2-6-21(23)22-7-3-5-9-24(22)25;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;;;;/h2*1-8,11-16,18-20H,9-10H2;4-13,15-16,18,26,29-30H,14,17H2,1-3H3;4-13,15-16,18,21,29-30H,14,17H2,1-3H3;4-13,15-16,18,30H,14,17H2,1-3H3;2-11,13-14,16,26H,12,15H2,1H3;1-4,6-8H;2-7,9H,1H3;;;;/q2*-1;;;;;2*-1;;;; |
| InChIKey | KZRXWWAMPLZGHU-UHFFFAOYSA-N |
| XLogP | 47.48 |
| TPSA | 236.66 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 220 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3641.78 |
| LogP ≤ 5 | 47.48 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 18 |
| 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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