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

C52H48N3OPt- — CID 153481387

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

2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum (PubChem CID 153481387) has the molecular formula C52H48N3OPt- and a molecular weight of 926.05 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
• PubChem CID: 153481387
• Molecular Formula: C52H48N3OPt-
• Molecular Weight: 926.05 g/mol
• Exact Mass: 925.35
• IUPAC Name: 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
• SMILES: Cc1cc(C)c(O)c(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(C(C)(C)C)c4)cccc3n2-c2ccc(-c3ccccc3)c(CC(C)C)c2)c1.[Pt]
• InChI: InChI=1S/C52H48N3O.Pt/c1-33(2)25-39-31-43(21-22-44(39)37-17-12-9-13-18-37)55-48-20-14-19-45(49(48)54-51(55)46-27-34(3)26-35(4)50(46)56)40-28-41(30-42(29-40)52(5,6)7)47-32-38(23-24-53-47)36-15-10-8-11-16-36;/h8-24,26-27,29-33,56H,25H2,1-7H3;/q-1
• InChIKey: DCOBDSFELSSJSI-UHFFFAOYSA-N
• XLogP: 13.37
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	926.05
LogP ≤ 5	13.37
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-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum?

The IUPAC name of 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum (CID 153481387) is 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum.

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

The canonical SMILES for 2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum is Cc1cc(C)c(O)c(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(C(C)(C)C)c4)cccc3n2-c2ccc(-c3ccccc3)c(CC(C)C)c2)c1.[Pt].

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

The InChIKey is DCOBDSFELSSJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H48N3O.Pt/c1-33(2)25-39-31-43(21-22-44(39)37-17-12-9-13-18-37)55-48-20-14-19-45(49(48)54-51(55)46-27-34(3)26-35(4)50(46)56)40-28-41(30-42(29-40)52(5,6)7)47-32-38(23-24-53-47)36-15-10-8-11-16-36;/h8-24,26-27,29-33,56H,25H2,1-7H3;/q-1;.

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

2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum has a molecular weight of 926.05 g/mol, XLogP of 13.37, 8 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-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[3-(2-methylpropyl)-4-phenylphenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum is sourced from PubChem (CID 153481387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).