C229H197N13O5Pt4-4 — CID 157220120
2,4-ditert-butyl-6-[4-[3-(2,6-diphenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-isoquinolin-3-yl-5-(2-methylpropyl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(2-phthalazin-1-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;platinum (PubChem CID 157220120) has the molecular formula C229H197N13O5Pt4-4 and a molecular weight of 3991.49 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-(2,6-diphenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-isoquinolin-3-yl-5-(2-methylpropyl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(2-phthalazin-1-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;platinum.
| Compound Name | 2,4-ditert-butyl-6-[4-[3-(2,6-diphenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-isoquinolin-3-yl-5-(2-methylpropyl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(2-phthalazin-1-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;platinum |
|---|---|
| PubChem CID | 157220120 |
| Molecular Formula | C229H197N13O5Pt4-4 |
| Molecular Weight | 3991.49 g/mol |
| Exact Mass | 3988.42 |
| IUPAC Name | 2,4-ditert-butyl-6-[4-[3-(2,6-diphenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-isoquinolin-3-yl-5-(2-methylpropyl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(2-phthalazin-1-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;platinum |
| SMILES | CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(-c5ccccc5-c5ccccc5)c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc(-c5c(-c6ccccc6)cccc5-c5ccccc5)c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5nncc6ccccc56)cc5c4oc4ccccc45)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)Cc1cc(-c2cc3ccccc3cn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccccc2-c2ccccc2)c1.[Pt].[Pt].[Pt].[Pt] |
| InChI | InChI=1S/2C62H52N3O.C53H43N4O2.C52H50N3O.4Pt/c1-61(2,3)47-39-52(59(66)53(40-47)62(4,5)6)60-64-58-51(31-21-34-56(58)65(60)55-33-17-16-28-48(55)41-22-10-7-11-23-41)44-36-45(54-32-18-19-35-63-54)38-46(37-44)57-49(42-24-12-8-13-25-42)29-20-30-50(57)43-26-14-9-15-27-43;1-61(2,3)48-39-53(59(66)54(40-48)62(4,5)6)60-64-58-52(30-20-32-57(58)65(60)56-31-19-18-29-51(56)43-25-14-9-15-26-43)46-35-45(50-28-17-16-27-49(50)42-23-12-8-13-24-42)36-47(37-46)55-38-44(33-34-63-55)41-21-10-7-11-22-41;1-52(2,3)35-29-42(49(58)43(30-35)53(4,5)6)51-55-48-39(23-16-25-45(48)57(51)44-24-14-12-20-36(44)32-17-8-7-9-18-32)41-28-34(47-37-21-11-10-19-33(37)31-54-56-47)27-40-38-22-13-15-26-46(38)59-50(40)41;1-33(2)25-34-26-38(28-39(27-34)45-29-36-19-12-13-20-37(36)32-53-45)42-22-16-24-47-48(42)54-50(43-30-40(51(3,4)5)31-44(49(43)56)52(6,7)8)55(47)46-23-15-14-21-41(46)35-17-10-9-11-18-35;;;;/h7-35,37-40,66H,1-6H3;7-36,38-40,66H,1-6H3;7-27,29-31,58H,1-6H3;9-24,26-27,29-33,56H,25H2,1-8H3;;;;/q4*-1;;;; |
| InChIKey | MDNYKQFJFVXCKL-UHFFFAOYSA-N |
| XLogP | 59.55 |
| TPSA | 229.79 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 251 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3991.49 |
| LogP ≤ 5 | 59.55 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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