2-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

C53H42N3OPt- — CID 153482657

About 2-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

2-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 153482657) has the molecular formula C53H42N3OPt- and a molecular weight of 932.02 g/mol. Its IUPAC name is 2-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 153482657
• Molecular Formula: C53H42N3OPt-
• Molecular Weight: 932.02 g/mol
• Exact Mass: 931.30
• IUPAC Name: 2-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: Cc1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccc(-c5ccccc5)c(C(C)(C)C)c4)cc(-c4ccccc4)c3)c2)cc1.[Pt]
• InChI: InChI=1S/C53H42N3O.Pt/c1-35-22-24-37(25-23-35)39-28-29-54-48(33-39)42-31-40(36-14-7-5-8-15-36)30-41(32-42)45-19-13-20-49-51(45)55-52(46-18-11-12-21-50(46)57)56(49)43-26-27-44(38-16-9-6-10-17-38)47(34-43)53(2,3)4;/h5-31,33-34,57H,1-4H3;/q-1
• InChIKey: UVDINCDSNVNZPM-UHFFFAOYSA-N
• XLogP: 13.53
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	932.02
LogP ≤ 5	13.53
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-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 153482657) is 2-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is Cc1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccc(-c5ccccc5)c(C(C)(C)C)c4)cc(-c4ccccc4)c3)c2)cc1.[Pt].

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

The InChIKey is UVDINCDSNVNZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H42N3O.Pt/c1-35-22-24-37(25-23-35)39-28-29-54-48(33-39)42-31-40(36-14-7-5-8-15-36)30-41(32-42)45-19-13-20-49-51(45)55-52(46-18-11-12-21-50(46)57)56(49)43-26-27-44(38-16-9-6-10-17-38)47(34-43)53(2,3)4;/h5-31,33-34,57H,1-4H3;/q-1;.

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

2-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 932.02 g/mol, XLogP of 13.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 153482657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).