2-[1-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

C55H54N3OPt- — CID 153478327

About 2-[1-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

2-[1-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 153478327) has the molecular formula C55H54N3OPt- and a molecular weight of 968.13 g/mol. Its IUPAC name is 2-[1-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 153478327
• Molecular Formula: C55H54N3OPt-
• Molecular Weight: 968.13 g/mol
• Exact Mass: 967.39
• IUPAC Name: 2-[1-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: Cc1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccc(C(C)(C)C)cc4-c4ccc(C(C)(C)C)cc4)cc(C(C)(C)C)c3)c2)cc1.[Pt]
• InChI: InChI=1S/C55H54N3O.Pt/c1-35-18-20-36(21-19-35)38-28-29-56-47(33-38)40-30-39(31-43(32-40)55(8,9)10)44-15-13-16-49-51(44)57-52(45-14-11-12-17-50(45)59)58(49)48-27-26-42(54(5,6)7)34-46(48)37-22-24-41(25-23-37)53(2,3)4;/h11-29,31-34,59H,1-10H3;/q-1
• InChIKey: WBBJLDGIUFRPSA-UHFFFAOYSA-N
• XLogP: 14.46
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	968.13
LogP ≤ 5	14.46
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-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[1-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 153478327) is 2-[1-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[1-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is Cc1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccc(C(C)(C)C)cc4-c4ccc(C(C)(C)C)cc4)cc(C(C)(C)C)c3)c2)cc1.[Pt].

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

The InChIKey is WBBJLDGIUFRPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H54N3O.Pt/c1-35-18-20-36(21-19-35)38-28-29-56-47(33-38)40-30-39(31-43(32-40)55(8,9)10)44-15-13-16-49-51(44)57-52(45-14-11-12-17-50(45)59)58(49)48-27-26-42(54(5,6)7)34-46(48)37-22-24-41(25-23-37)53(2,3)4;/h11-29,31-34,59H,1-10H3;/q-1;.

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

2-[1-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 968.13 g/mol, XLogP of 14.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 153478327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).