C174H143N10O4Pt3S-3 — CID 161169995
2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(9-phenyl-4-pyridin-2-yl-3H-carbazol-3-id-2-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;platinum (PubChem CID 161169995) has the molecular formula C174H143N10O4Pt3S-3 and a molecular weight of 3055.42 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(9-phenyl-4-pyridin-2-yl-3H-carbazol-3-id-2-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;platinum.
| Compound Name | 2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(9-phenyl-4-pyridin-2-yl-3H-carbazol-3-id-2-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;platinum |
|---|---|
| PubChem CID | 161169995 |
| Molecular Formula | C174H143N10O4Pt3S-3 |
| Molecular Weight | 3055.42 g/mol |
| Exact Mass | 3053.00 |
| IUPAC Name | 2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(9-phenyl-4-pyridin-2-yl-3H-carbazol-3-id-2-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;platinum |
| SMILES | CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)c5c6ccccc6n(-c6ccccc6)c5c4)cccc3n2-c2c(-c3ccccc3)cccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc5c4oc4ccccc45)cccc3n2-c2c(-c3ccccc3)cccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc5c4sc4ccccc45)cccc3n2-c2c(-c3ccccc3)cccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].[Pt].[Pt] |
| InChI | InChI=1S/C62H51N4O.C56H46N3O2.C56H46N3OS.3Pt/c1-61(2,3)43-38-50(59(67)51(39-43)62(4,5)6)60-64-57-45(29-21-34-54(57)66(60)58-46(40-22-10-7-11-23-40)30-20-31-47(58)41-24-12-8-13-25-41)42-36-49(52-32-18-19-35-63-52)56-48-28-16-17-33-53(48)65(55(56)37-42)44-26-14-9-15-27-44;2*1-55(2,3)38-33-45(52(60)46(34-38)56(4,5)6)54-58-50-42(44-32-37(47-27-15-16-30-57-47)31-43-41-23-13-14-29-49(41)61-53(43)44)26-18-28-48(50)59(54)51-39(35-19-9-7-10-20-35)24-17-25-40(51)36-21-11-8-12-22-36;;;/h7-35,37-39,67H,1-6H3;2*7-31,33-34,60H,1-6H3;;;/q3*-1;;; |
| InChIKey | MRHNRORSLFPHCH-UHFFFAOYSA-N |
| XLogP | 45.93 |
| TPSA | 170.89 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 192 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3055.42 |
| LogP ≤ 5 | 45.93 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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