C202H198F11N10O10Pt5-5 — CID 162278877
2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;tris(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);bis(7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol);2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 162278877) has the molecular formula C202H198F11N10O10Pt5-5 and a molecular weight of 4110.23 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;tris(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);bis(7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol);2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.
| Compound Name | 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;tris(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);bis(7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol);2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine |
|---|---|
| PubChem CID | 162278877 |
| Molecular Formula | C202H198F11N10O10Pt5-5 |
| Molecular Weight | 4110.23 g/mol |
| Exact Mass | 4107.34 |
| IUPAC Name | 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(4-tert-butyl-2-fluorobenzene-6-id-1-yl)pyridine;tris(1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol);bis(7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol);2-(2-fluoro-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(C)(C)C(O)C=C(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)C(O)C=C(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)c1c[c-]c(-c2ccccn2)c(F)c1.CC(C)(C)c1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)c(F)c1.FC(F)(F)c1[c-]c(-c2ccccn2)cc(C(F)(F)F)c1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Pt].[Pt].[Pt].[Pt].[Pt] |
| InChI | InChI=1S/5C27H29NO2.C15H15FN.C15H16N.C13H6F6N.C12H7F3N.C12H9FN.5Pt/c5*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;1-15(2,3)11-7-8-12(13(16)10-11)14-6-4-5-9-17-14;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;14-12(15,16)9-5-8(11-3-1-2-4-20-11)6-10(7-9)13(17,18)19;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-9-5-6-10(11(13)8-9)12-4-2-3-7-14-12;;;;;/h3*4-13,15-16,18,26,29-30H,14,17H2,1-3H3;2*4-13,15-16,18,21,29-30H,14,17H2,1-3H3;4-7,9-10H,1-3H3;4-7,9-11H,1-3H3;1-5,7H;1-4,6-8H;2-5,7-8H,1H3;;;;;/q;;;;;5*-1;;;;; |
| InChIKey | LBTXCRDEJVSVPY-UHFFFAOYSA-N |
| XLogP | 51.80 |
| TPSA | 291.40 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 238 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4110.23 |
| LogP ≤ 5 | 51.80 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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