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

C55H46N3OPt- — CID 153482431

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

2-[1-(3-tert-butyl-5-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum (PubChem CID 153482431) has the molecular formula C55H46N3OPt- and a molecular weight of 963.09 g/mol. Its IUPAC name is 2-[1-(3-tert-butyl-5-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum.

Molecular Properties

• Compound Name: 2-[1-(3-tert-butyl-5-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
• PubChem CID: 153482431
• Molecular Formula: C55H46N3OPt-
• Molecular Weight: 963.09 g/mol
• Exact Mass: 962.35
• IUPAC Name: 2-[1-(3-tert-butyl-5-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
• SMILES: [2H]C([2H])([2H])c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C)cc(C)c4O)n5-c4cc(-c5ccccc5)cc(C(C)(C)C)c4)cc(-c4ccccc4)c3)c2)cc1.[Pt]
• InChI: InChI=1S/C55H46N3O.Pt/c1-35-20-22-40(23-21-35)41-24-25-56-50(33-41)45-29-42(38-14-9-7-10-15-38)28-44(30-45)48-18-13-19-51-52(48)57-54(49-27-36(2)26-37(3)53(49)59)58(51)47-32-43(39-16-11-8-12-17-39)31-46(34-47)55(4,5)6;/h7-29,31-34,59H,1-6H3;/q-1;/i1D3
• InChIKey: CCAZALCICRVOQV-NIIDSAIPSA-N
• XLogP: 14.15
• 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	963.09
LogP ≤ 5	14.15
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-5-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum?

The IUPAC name of 2-[1-(3-tert-butyl-5-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum (CID 153482431) is 2-[1-(3-tert-butyl-5-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum.

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

The canonical SMILES for 2-[1-(3-tert-butyl-5-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum is [2H]C([2H])([2H])c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C)cc(C)c4O)n5-c4cc(-c5ccccc5)cc(C(C)(C)C)c4)cc(-c4ccccc4)c3)c2)cc1.[Pt].

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

The InChIKey is CCAZALCICRVOQV-NIIDSAIPSA-N. The full InChI is InChI=1S/C55H46N3O.Pt/c1-35-20-22-40(23-21-35)41-24-25-56-50(33-41)45-29-42(38-14-9-7-10-15-38)28-44(30-45)48-18-13-19-51-52(48)57-54(49-27-36(2)26-37(3)53(49)59)58(51)47-32-43(39-16-11-8-12-17-39)31-46(34-47)55(4,5)6;/h7-29,31-34,59H,1-6H3;/q-1;/i1D3;.

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

2-[1-(3-tert-butyl-5-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum has a molecular weight of 963.09 g/mol, XLogP of 14.15, 8 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-5-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum is sourced from PubChem (CID 153482431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).