C168H138N9O5Pt3S-3 — CID 163783288
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-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-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 163783288) has the molecular formula C168H138N9O5Pt3S-3 and a molecular weight of 2980.31 g/mol. Its IUPAC name is 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-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-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-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-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 | 163783288 |
| Molecular Formula | C168H138N9O5Pt3S-3 |
| Molecular Weight | 2980.31 g/mol |
| Exact Mass | 2977.95 |
| IUPAC Name | 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-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-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)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.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc5oc6ccccc6c45)cccc3n2-c2c(-c3ccccc3)cccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].[Pt].[Pt] |
| InChI | InChI=1S/2C56H46N3O2.C56H46N3OS.3Pt/c1-55(2,3)38-33-44(53(60)45(34-38)56(4,5)6)54-58-51-41(43-31-37(46-27-15-16-30-57-46)32-49-50(43)42-23-13-14-29-48(42)61-49)26-18-28-47(51)59(54)52-39(35-19-9-7-10-20-35)24-17-25-40(52)36-21-11-8-12-22-36;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;;;/h7-30,32-34,60H,1-6H3;2*7-31,33-34,60H,1-6H3;;;/q3*-1;;; |
| InChIKey | ONCNGQOAZFHAGV-UHFFFAOYSA-N |
| XLogP | 44.73 |
| TPSA | 179.10 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 186 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2980.31 |
| LogP ≤ 5 | 44.73 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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