2-[4-[5-([1]benzofuro[2,3-c]pyridin-3-yl)-4H-pyridin-4-id-3-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-4,6-ditert-butylphenol;2,4-ditert-butyl-6-[1-(2-phenylnaphthalen-1-yl)-4-[3-phenyl-5-(4-phenylpyrimidin-2-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylnaphthalen-1-yl)-4-[3-phenyl-5-(6-phenylpyrimidin-4-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylnaphthalen-1-yl)-4-[3-(5-phenylpyridazin-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
C233H196N16O5Pt4-4 — CID 159728524
Data last refreshed: (MolForge compound catalog, from PubChem)
About 2-[4-[5-([1]benzofuro[2,3-c]pyridin-3-yl)-4H-pyridin-4-id-3-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-4,6-ditert-butylphenol;2,4-ditert-butyl-6-[1-(2-phenylnaphthalen-1-yl)-4-[3-phenyl-5-(4-phenylpyrimidin-2-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylnaphthalen-1-yl)-4-[3-phenyl-5-(6-phenylpyrimidin-4-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylnaphthalen-1-yl)-4-[3-(5-phenylpyridazin-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
2-[4-[5-([1]benzofuro[2,3-c]pyridin-3-yl)-4H-pyridin-4-id-3-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-4,6-ditert-butylphenol;2,4-ditert-butyl-6-[1-(2-phenylnaphthalen-1-yl)-4-[3-phenyl-5-(4-phenylpyrimidin-2-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylnaphthalen-1-yl)-4-[3-phenyl-5-(6-phenylpyrimidin-4-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylnaphthalen-1-yl)-4-[3-(5-phenylpyridazin-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 159728524) has the molecular formula C233H196N16O5Pt4-4 and a molecular weight of 4080.55 g/mol. Its IUPAC name is 2-[4-[5-([1]benzofuro[2,3-c]pyridin-3-yl)-4H-pyridin-4-id-3-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-4,6-ditert-butylphenol;2,4-ditert-butyl-6-[1-(2-phenylnaphthalen-1-yl)-4-[3-phenyl-5-(4-phenylpyrimidin-2-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylnaphthalen-1-yl)-4-[3-phenyl-5-(6-phenylpyrimidin-4-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylnaphthalen-1-yl)-4-[3-(5-phenylpyridazin-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.
Molecular Properties
| Compound Name | 2-[4-[5-([1]benzofuro[2,3-c]pyridin-3-yl)-4H-pyridin-4-id-3-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-4,6-ditert-butylphenol;2,4-ditert-butyl-6-[1-(2-phenylnaphthalen-1-yl)-4-[3-phenyl-5-(4-phenylpyrimidin-2-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylnaphthalen-1-yl)-4-[3-phenyl-5-(6-phenylpyrimidin-4-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylnaphthalen-1-yl)-4-[3-(5-phenylpyridazin-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum |
|---|---|
| PubChem CID | 159728524 |
| Molecular Formula | C233H196N16O5Pt4-4 |
| Molecular Weight | 4080.55 g/mol |
| Exact Mass | 4077.42 |
| IUPAC Name | 2-[4-[5-([1]benzofuro[2,3-c]pyridin-3-yl)-4H-pyridin-4-id-3-yl]-1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-4,6-ditert-butylphenol;2,4-ditert-butyl-6-[1-(2-phenylnaphthalen-1-yl)-4-[3-phenyl-5-(4-phenylpyrimidin-2-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylnaphthalen-1-yl)-4-[3-phenyl-5-(6-phenylpyrimidin-4-yl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylnaphthalen-1-yl)-4-[3-(5-phenylpyridazin-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum |
| SMILES | CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ncn5)cc(-c5ccccc5)c4)cccc3n2-c2c(-c3ccccc3)ccc3ccccc23)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc6c(cn5)oc5ccccc56)cnc4)cccc3n2-c2c(-c3ccccc3)ccc3ccccc23)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5nccc(-c6ccccc6)n5)cc(-c5ccccc5)c4)cccc3n2-c2c(-c3ccccc3)ccc3ccccc23)c(O)c(C(C)(C)C)c1.Cc1cc(C)c(-c2cc(-c3cc(-c4ccccc4)cnn3)[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3c(-c4ccccc4)ccc4ccccc34)c2)c(C)c1.[Pt].[Pt].[Pt].[Pt] |
| InChI | InChI=1S/C62H55N4O.2C59H49N4O.C53H43N4O2.4Pt/c1-38-29-39(2)56(40(3)30-38)46-32-44(31-45(33-46)54-34-47(37-63-65-54)41-19-12-10-13-20-41)49-25-18-26-55-57(49)64-60(52-35-48(61(4,5)6)36-53(59(52)67)62(7,8)9)66(55)58-50-24-17-16-23-43(50)27-28-51(58)42-21-14-11-15-22-42;1-58(2,3)45-34-49(56(64)50(35-45)59(4,5)6)57-62-54-46(27-18-28-53(54)63(57)55-47-26-17-16-23-40(47)29-30-48(55)39-21-12-8-13-22-39)43-31-42(38-19-10-7-11-20-38)32-44(33-43)52-36-51(60-37-61-52)41-24-14-9-15-25-41;1-58(2,3)45-36-49(55(64)50(37-45)59(4,5)6)57-62-53-46(27-18-28-52(53)63(57)54-47-26-17-16-23-40(47)29-30-48(54)39-21-12-8-13-22-39)43-33-42(38-19-10-7-11-20-38)34-44(35-43)56-60-32-31-51(61-56)41-24-14-9-15-25-41;1-52(2,3)36-26-42(50(58)43(27-36)53(4,5)6)51-56-48-37(34-25-35(30-54-29-34)44-28-41-40-19-12-13-22-46(40)59-47(41)31-55-44)20-14-21-45(48)57(51)49-38-18-11-10-17-33(38)23-24-39(49)32-15-8-7-9-16-32;;;;/h10-30,32-37,67H,1-9H3;7-32,34-37,64H,1-6H3;7-34,36-37,64H,1-6H3;7-24,26-31,58H,1-6H3;;;;/q4*-1;;;; |
| InChIKey | KONHOIKKIGFHLQ-UHFFFAOYSA-N |
| XLogP | 59.77 |
| TPSA | 268.46 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 258 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4080.55 |
| LogP ≤ 5 | 59.77 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 21 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
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Sources
- PubChem CID 159728524 — identifiers, structure, computed properties (public domain)
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