4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]-6-methylphenol;platinum

C56H56N3OPt- — CID 153480777

About 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]-6-methylphenol;platinum

4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]-6-methylphenol;platinum (PubChem CID 153480777) has the molecular formula C56H56N3OPt- and a molecular weight of 982.16 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]-6-methylphenol;platinum.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]-6-methylphenol;platinum
• PubChem CID: 153480777
• Molecular Formula: C56H56N3OPt-
• Molecular Weight: 982.16 g/mol
• Exact Mass: 981.41
• IUPAC Name: 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]-6-methylphenol;platinum
• SMILES: Cc1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C(C)(C)C)cc(C)c4O)n5-c4ccc(CC(C)C)cc4-c4ccccc4)cc(C(C)(C)C)c3)c2)cc1.[Pt]
• InChI: InChI=1S/C56H56N3O.Pt/c1-35(2)27-38-21-24-50(47(29-38)40-15-12-11-13-16-40)59-51-18-14-17-46(52(51)58-54(59)48-34-44(55(5,6)7)28-37(4)53(48)60)42-30-43(32-45(31-42)56(8,9)10)49-33-41(25-26-57-49)39-22-19-36(3)20-23-39;/h11-26,28-29,31-35,60H,27H2,1-10H3;/q-1
• InChIKey: HVMMGEWAKXYADL-UHFFFAOYSA-N
• XLogP: 14.67
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	982.16
LogP ≤ 5	14.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]-6-methylphenol;platinum?

The IUPAC name of 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]-6-methylphenol;platinum (CID 153480777) is 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]-6-methylphenol;platinum.

What is the SMILES notation for 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]-6-methylphenol;platinum?

The canonical SMILES for 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]-6-methylphenol;platinum is Cc1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C(C)(C)C)cc(C)c4O)n5-c4ccc(CC(C)C)cc4-c4ccccc4)cc(C(C)(C)C)c3)c2)cc1.[Pt].

What is the InChIKey of 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]-6-methylphenol;platinum?

The InChIKey is HVMMGEWAKXYADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H56N3O.Pt/c1-35(2)27-38-21-24-50(47(29-38)40-15-12-11-13-16-40)59-51-18-14-17-46(52(51)58-54(59)48-34-44(55(5,6)7)28-37(4)53(48)60)42-30-43(32-45(31-42)56(8,9)10)49-33-41(25-26-57-49)39-22-19-36(3)20-23-39;/h11-26,28-29,31-35,60H,27H2,1-10H3;/q-1;.

What are the key properties of 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]-6-methylphenol;platinum?

4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]-6-methylphenol;platinum has a molecular weight of 982.16 g/mol, XLogP of 14.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]-6-methylphenol;platinum is sourced from PubChem (CID 153480777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).