C202H177F5N14O4Pt4-4 — CID 157139818
2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-7-pyridin-3-ylbenzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(2,3,4,5,6-pentafluorophenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-pyridin-3-ylbenzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 157139818) has the molecular formula C202H177F5N14O4Pt4-4 and a molecular weight of 3740.03 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-7-pyridin-3-ylbenzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(2,3,4,5,6-pentafluorophenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-pyridin-3-ylbenzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.
| Compound Name | 2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-7-pyridin-3-ylbenzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(2,3,4,5,6-pentafluorophenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-pyridin-3-ylbenzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum |
|---|---|
| PubChem CID | 157139818 |
| Molecular Formula | C202H177F5N14O4Pt4-4 |
| Molecular Weight | 3740.03 g/mol |
| Exact Mass | 3737.26 |
| IUPAC Name | 2,4-ditert-butyl-6-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-7-pyridin-3-ylbenzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-(2,3,4,5,6-pentafluorophenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-1-pyridin-3-ylbenzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum |
| SMILES | CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)ccc4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.Cc1cnc(-c2[c-]c(-c3ccc(-c4cccnc4)c4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4C)cc(-c3ccccc3)c2)cc1-c1ccccc1.Cc1cnc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3c(F)c(F)c(F)c(F)c3F)cc(-c3ccccc3)c2)cc1-c1ccccc1.Cc1cnc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3cccnc3)cc(-c3ccccc3)c2)cc1-c1ccccc1.[Pt].[Pt].[Pt].[Pt] |
| InChI | InChI=1S/C51H41F5N3O.C51H47N4O.C50H45N4O.C50H44N3O.4Pt/c1-28-27-57-39(26-36(28)30-17-12-9-13-18-30)33-22-31(29-15-10-8-11-16-29)21-32(23-33)35-19-14-20-40-46(35)58-49(59(40)47-44(55)42(53)41(52)43(54)45(47)56)37-24-34(50(2,3)4)25-38(48(37)60)51(5,6)7;1-32-30-53-45(29-42(32)34-18-13-10-14-19-34)38-25-36(33-16-11-9-12-17-33)24-37(26-38)40-21-22-41(35-20-15-23-52-31-35)47-46(40)54-49(55(47)8)43-27-39(50(2,3)4)28-44(48(43)56)51(5,6)7;1-32-30-52-44(29-41(32)34-18-12-9-13-19-34)37-25-35(33-16-10-8-11-17-33)24-36(26-37)40-21-14-22-45-46(40)53-48(54(45)39-20-15-23-51-31-39)42-27-38(49(2,3)4)28-43(47(42)55)50(5,6)7;1-49(2,3)39-31-42(47(54)43(32-39)50(4,5)6)48-52-46-41(21-14-22-45(46)53(48)40-19-11-8-12-20-40)37-17-13-18-38(29-37)44-30-36(27-28-51-44)35-25-23-34(24-26-35)33-15-9-7-10-16-33;;;;/h8-22,24-27,60H,1-7H3;9-25,27-31,56H,1-8H3;8-25,27-31,55H,1-7H3;7-28,30-32,54H,1-6H3;;;;/q4*-1;;;; |
| InChIKey | PNGIPJUKQUBFSG-UHFFFAOYSA-N |
| XLogP | 52.04 |
| TPSA | 229.54 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 229 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3740.03 |
| LogP ≤ 5 | 52.04 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'} |
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