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

C53H50N3OPt- — CID 153476989

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

2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-dimethylphenol;platinum (PubChem CID 153476989) has the molecular formula C53H50N3OPt- and a molecular weight of 940.08 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-dimethylphenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-dimethylphenol;platinum
• PubChem CID: 153476989
• Molecular Formula: C53H50N3OPt-
• Molecular Weight: 940.08 g/mol
• Exact Mass: 939.36
• IUPAC Name: 2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-dimethylphenol;platinum
• SMILES: Cc1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C)cc(C)c4O)n5-c4ccc(-c5ccccc5)c(C(C)(C)C)c4)cc(C(C)(C)C)c3)c2)cc1.[Pt]
• InChI: InChI=1S/C53H50N3O.Pt/c1-33-18-20-36(21-19-33)38-24-25-54-47(31-38)40-28-39(29-41(30-40)52(4,5)6)44-16-13-17-48-49(44)55-51(45-27-34(2)26-35(3)50(45)57)56(48)42-22-23-43(37-14-11-10-12-15-37)46(32-42)53(7,8)9;/h10-27,29-32,57H,1-9H3;/q-1
• InChIKey: GQRHYXZBPPTTIT-UHFFFAOYSA-N
• XLogP: 13.78
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	940.08
LogP ≤ 5	13.78
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 2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-dimethylphenol;platinum?

The IUPAC name of 2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-dimethylphenol;platinum (CID 153476989) is 2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-dimethylphenol;platinum.

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

The canonical SMILES for 2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-dimethylphenol;platinum is Cc1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C)cc(C)c4O)n5-c4ccc(-c5ccccc5)c(C(C)(C)C)c4)cc(C(C)(C)C)c3)c2)cc1.[Pt].

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

The InChIKey is GQRHYXZBPPTTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H50N3O.Pt/c1-33-18-20-36(21-19-33)38-24-25-54-47(31-38)40-28-39(29-41(30-40)52(4,5)6)44-16-13-17-48-49(44)55-51(45-27-34(2)26-35(3)50(45)57)56(48)42-22-23-43(37-14-11-10-12-15-37)46(32-42)53(7,8)9;/h10-27,29-32,57H,1-9H3;/q-1;.

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

2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-dimethylphenol;platinum has a molecular weight of 940.08 g/mol, XLogP of 13.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(3-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-dimethylphenol;platinum is sourced from PubChem (CID 153476989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).