C215H188N12O4Pt4S-4 — CID 158844362
2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum (PubChem CID 158844362) has the molecular formula C215H188N12O4Pt4S-4 and a molecular weight of 3816.33 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum.
| Compound Name | 2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum |
|---|---|
| PubChem CID | 158844362 |
| Molecular Formula | C215H188N12O4Pt4S-4 |
| Molecular Weight | 3816.33 g/mol |
| Exact Mass | 3813.32 |
| IUPAC Name | 2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum |
| SMILES | CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)ccc4)cccc3n2-c2ccc(-c3ccccc3)cc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc(-c5ccccc5)c4)cccc3n2-c2ccc(-c3ccccc3)cc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)ccc4)cccc3n2-c2ccc(-c3ccccc3)cc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)c1cccc(-c2ccccc2)c1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccccn4)cc4sc5ccccc5c34)cccc21.[Pt].[Pt].[Pt].[Pt] |
| InChI | InChI=1S/2C56H48N3O.C53H48N3OS.C50H44N3O.4Pt/c1-55(2,3)44-35-47(53(60)48(36-44)56(4,5)6)54-58-52-45(42-24-16-25-43(32-42)49-34-41(30-31-57-49)38-20-12-8-13-21-38)26-17-27-51(52)59(54)50-29-28-40(37-18-10-7-11-19-37)33-46(50)39-22-14-9-15-23-39;1-55(2,3)44-35-47(53(60)48(36-44)56(4,5)6)54-58-52-45(42-31-41(38-21-12-8-13-22-38)32-43(33-42)49-26-16-17-30-57-49)25-18-27-51(52)59(54)50-29-28-40(37-19-10-7-11-20-37)34-46(50)39-23-14-9-15-24-39;1-32(2)36-21-16-22-37(33-18-10-9-11-19-33)49(36)56-44-25-17-23-38(48(44)55-51(56)41-30-35(52(3,4)5)31-42(50(41)57)53(6,7)8)40-28-34(43-24-14-15-27-54-43)29-46-47(40)39-20-12-13-26-45(39)58-46;1-49(2,3)38-31-41(47(54)42(32-38)50(4,5)6)48-52-46-39(36-21-15-22-37(29-36)43-24-13-14-28-51-43)23-16-25-45(46)53(48)44-27-26-35(33-17-9-7-10-18-33)30-40(44)34-19-11-8-12-20-34;;;;/h7-31,33-36,60H,1-6H3;7-32,34-36,60H,1-6H3;9-27,29-32,57H,1-8H3;7-28,30-32,54H,1-6H3;;;;/q4*-1;;;; |
| InChIKey | HKBDDGUUVAEKRL-UHFFFAOYSA-N |
| XLogP | 56.57 |
| TPSA | 203.76 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 236 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3816.33 |
| LogP ≤ 5 | 56.57 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 17 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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