C191H172F6N6O19Pt6-6 — CID 162222525
[3,5-bis(trifluoromethyl)phenyl]-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;(4-tert-butylphenyl)-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;pentakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;(4-methoxyphenyl)-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;(2-methylphenyl)-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;phenyl-[4-[4-(5-propyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]methanone;phenyl-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]methanone;platinum (PubChem CID 162222525) has the molecular formula C191H172F6N6O19Pt6-6 and a molecular weight of 4139.96 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;(4-tert-butylphenyl)-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;pentakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;(4-methoxyphenyl)-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;(2-methylphenyl)-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;phenyl-[4-[4-(5-propyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]methanone;phenyl-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]methanone;platinum.
| Compound Name | [3,5-bis(trifluoromethyl)phenyl]-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;(4-tert-butylphenyl)-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;pentakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;(4-methoxyphenyl)-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;(2-methylphenyl)-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;phenyl-[4-[4-(5-propyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]methanone;phenyl-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]methanone;platinum |
|---|---|
| PubChem CID | 162222525 |
| Molecular Formula | C191H172F6N6O19Pt6-6 |
| Molecular Weight | 4139.96 g/mol |
| Exact Mass | 4137.05 |
| IUPAC Name | [3,5-bis(trifluoromethyl)phenyl]-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;(4-tert-butylphenyl)-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;pentakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;(4-methoxyphenyl)-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;(2-methylphenyl)-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;phenyl-[4-[4-(5-propyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]methanone;phenyl-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]methanone;platinum |
| SMILES | CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)c1ccc(C(=O)c2ccc(-c3ccc(-c4[c-]cccc4)nc3)cc2)cc1.CCCc1ccc(-c2[c-]cc(-c3ccc(C(=O)c4ccccc4)cc3)cc2)nc1.COc1ccc(C(=O)c2ccc(-c3ccc(-c4[c-]cccc4)nc3)cc2)cc1.Cc1ccccc1C(=O)c1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1.O=C(c1ccc(-c2ccc(-c3[c-]cccc3)nc2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C(c1ccccc1)c1ccc(-c2c[c-]c(-c3ccccn3)cc2)cc1.[Pt].[Pt].[Pt].[Pt].[Pt].[Pt] |
| InChI | InChI=1S/C28H24NO.C27H22NO.C26H14F6NO.C25H18NO2.C25H18NO.C24H16NO.C11H20O2.5C5H8O2.6Pt/c1-28(2,3)25-16-13-23(14-17-25)27(30)22-11-9-20(10-12-22)24-15-18-26(29-19-24)21-7-5-4-6-8-21;1-2-6-20-9-18-26(28-19-20)23-14-10-21(11-15-23)22-12-16-25(17-13-22)27(29)24-7-4-3-5-8-24;27-25(28,29)21-12-20(13-22(14-21)26(30,31)32)24(34)18-8-6-16(7-9-18)19-10-11-23(33-15-19)17-4-2-1-3-5-17;1-28-23-14-11-21(12-15-23)25(27)20-9-7-18(8-10-20)22-13-16-24(26-17-22)19-5-3-2-4-6-19;1-18-7-5-6-10-23(18)25(27)21-13-11-19(12-14-21)22-15-16-24(26-17-22)20-8-3-2-4-9-20;26-24(21-6-2-1-3-7-21)22-15-11-19(12-16-22)18-9-13-20(14-10-18)23-8-4-5-17-25-23;1-10(2,3)8(12)7-9(13)11(4,5)6;5*1-4(6)3-5(2)7;;;;;;/h4-7,9-19H,1-3H3;3-5,7-14,16-19H,2,6H2,1H3;1-4,6-15H;2-5,7-17H,1H3;2-8,10-17H,1H3;1-13,15-17H;7,12H,1-6H3;5*3,6H,1-2H3;;;;;;/q6*-1;;;;;;;;;;;; |
| InChIKey | KKAVAFBAGRNJFV-UHFFFAOYSA-N |
| XLogP | 45.55 |
| TPSA | 412.79 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 228 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4139.96 |
| LogP ≤ 5 | 45.55 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 25 |
| 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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