C113H94F4N10O2Pt4S — CID 159943364
2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;4-[2-(2,4-difluorobenzene-6-id-1-yl)propan-2-yl]-1-methyl-2-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]benzimidazole;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-6-(2-phenylpropan-2-yl)pyridine;2-[2-[3-(6-phenyl-2-pyridinyl)benzene-2-id-1-yl]propan-2-yl]-1,3-benzothiazole;platinum;tris(platinum(2+)) (PubChem CID 159943364) has the molecular formula C113H94F4N10O2Pt4S and a molecular weight of 2512.43 g/mol. Its IUPAC name is 2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;4-[2-(2,4-difluorobenzene-6-id-1-yl)propan-2-yl]-1-methyl-2-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]benzimidazole;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-6-(2-phenylpropan-2-yl)pyridine;2-[2-[3-(6-phenyl-2-pyridinyl)benzene-2-id-1-yl]propan-2-yl]-1,3-benzothiazole;platinum;tris(platinum(2+)).
| Compound Name | 2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;4-[2-(2,4-difluorobenzene-6-id-1-yl)propan-2-yl]-1-methyl-2-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]benzimidazole;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-6-(2-phenylpropan-2-yl)pyridine;2-[2-[3-(6-phenyl-2-pyridinyl)benzene-2-id-1-yl]propan-2-yl]-1,3-benzothiazole;platinum;tris(platinum(2+)) |
|---|---|
| PubChem CID | 159943364 |
| Molecular Formula | C113H94F4N10O2Pt4S |
| Molecular Weight | 2512.43 g/mol |
| Exact Mass | 2510.58 |
| IUPAC Name | 2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;4-[2-(2,4-difluorobenzene-6-id-1-yl)propan-2-yl]-1-methyl-2-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]benzimidazole;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)-6-(2-phenylpropan-2-yl)pyridine;2-[2-[3-(6-phenyl-2-pyridinyl)benzene-2-id-1-yl]propan-2-yl]-1,3-benzothiazole;platinum;tris(platinum(2+)) |
| SMILES | CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(-c3ccccc3O)n2)nc(-c2ccccc2O)c1.CC(C)(c1[c-]c(-c2cccc(-c3[c-]cccc3)n2)ccc1)c1nc2ccccc2s1.CC(C)(c1[c-]cccc1)c1cccc(-c2[c-]c(-c3ccccn3)c(F)cc2F)n1.Cn1c(-c2[c-]c(-c3nc4c(C(C)(C)c5[c-]cc(F)cc5F)cccc4n3C)ccc2)nc2ccccc21.[Pt+2].[Pt+2].[Pt+2].[Pt] |
| InChI | InChI=1S/C31H24F2N4.C30H32N2O2.C27H20N2S.C25H18F2N2.4Pt/c1-31(2,22-16-15-21(32)18-24(22)33)23-11-8-14-27-28(23)35-30(37(27)4)20-10-7-9-19(17-20)29-34-25-12-5-6-13-26(25)36(29)3;1-29(2,3)19-15-23(21-11-7-9-13-27(21)33)31-25(17-19)26-18-20(30(4,5)6)16-24(32-26)22-12-8-10-14-28(22)34;1-27(2,26-29-24-14-6-7-17-25(24)30-26)21-13-8-12-20(18-21)23-16-9-15-22(28-23)19-10-4-3-5-11-19;1-25(2,17-9-4-3-5-10-17)24-13-8-12-23(29-24)19-15-18(20(26)16-21(19)27)22-11-6-7-14-28-22;;;;/h5-15,18H,1-4H3;7-18,33-34H,1-6H3;3-10,12-17H,1-2H3;3-9,11-14,16H,1-2H3;;;;/q-2;;2*-2;;3*+2 |
| InChIKey | ZZAWUFKFIJPZPE-UHFFFAOYSA-N |
| XLogP | 27.44 |
| TPSA | 153.44 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 134 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2512.43 |
| LogP ≤ 5 | 27.44 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 13 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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