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

C55H54N3OPt- — CID 153482346

About 4-tert-butyl-2-[4-[3-tert-butyl-5-(4-phenyl-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-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(2-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]-6-methylphenol;platinum (PubChem CID 153482346) has the molecular formula C55H54N3OPt- and a molecular weight of 968.13 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[3-tert-butyl-5-(4-phenyl-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-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(2-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]-6-methylphenol;platinum
• PubChem CID: 153482346
• Molecular Formula: C55H54N3OPt-
• Molecular Weight: 968.13 g/mol
• Exact Mass: 967.39
• IUPAC Name: 4-tert-butyl-2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(2-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]-6-methylphenol;platinum
• SMILES: Cc1cc(C(C)(C)C)cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(C(C)(C)C)c4)cccc3n2-c2ccc(CC(C)C)cc2-c2ccccc2)c1O.[Pt]
• InChI: InChI=1S/C55H54N3O.Pt/c1-35(2)27-37-23-24-49(46(29-37)39-19-14-11-15-20-39)58-50-22-16-21-45(51(50)57-53(58)47-34-43(54(4,5)6)28-36(3)52(47)59)41-30-42(32-44(31-41)55(7,8)9)48-33-40(25-26-56-48)38-17-12-10-13-18-38;/h10-26,28-29,31-35,59H,27H2,1-9H3;/q-1
• InChIKey: BTDQQALGJRKFAF-UHFFFAOYSA-N
• XLogP: 14.36
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	968.13
LogP ≤ 5	14.36
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-phenyl-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-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(2-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]-6-methylphenol;platinum (CID 153482346) is 4-tert-butyl-2-[4-[3-tert-butyl-5-(4-phenyl-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-phenyl-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-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(2-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]-6-methylphenol;platinum is Cc1cc(C(C)(C)C)cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(C(C)(C)C)c4)cccc3n2-c2ccc(CC(C)C)cc2-c2ccccc2)c1O.[Pt].

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

The InChIKey is BTDQQALGJRKFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H54N3O.Pt/c1-35(2)27-37-23-24-49(46(29-37)39-19-14-11-15-20-39)58-50-22-16-21-45(51(50)57-53(58)47-34-43(54(4,5)6)28-36(3)52(47)59)41-30-42(32-44(31-41)55(7,8)9)48-33-40(25-26-56-48)38-17-12-10-13-18-38;/h10-26,28-29,31-35,59H,27H2,1-9H3;/q-1;.

What are the key properties of 4-tert-butyl-2-[4-[3-tert-butyl-5-(4-phenyl-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-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(2-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]-6-methylphenol;platinum has a molecular weight of 968.13 g/mol, XLogP of 14.36, 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-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(2-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]-6-methylphenol;platinum is sourced from PubChem (CID 153482346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).