1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazole;platinum(2+)

C62H51N3OPt — CID 167356002

About 1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazole;platinum(2+)

1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazole;platinum(2+) (PubChem CID 167356002) has the molecular formula C62H51N3OPt and a molecular weight of 1052.21 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazole;platinum(2+).

Molecular Properties

• Compound Name: 1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazole;platinum(2+)
• PubChem CID: 167356002
• Molecular Formula: C62H51N3OPt
• Molecular Weight: 1052.21 g/mol
• Exact Mass: 1051.39
• IUPAC Name: 1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazole;platinum(2+)
• SMILES: [2H]C([2H])([2H])c1cc(-n2c(-c3cc(C)cc(C)c3O[CH2-])nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(-c5ccccc5)c4)cccc32)c(-c2ccc(C(C)(C)C)cc2)cc1-c1ccccc1.[Pt+2]
• InChI: InChI=1S/C62H51N3O.Pt/c1-40-32-42(3)60(66-7)55(33-40)61-64-59-52(49-35-48(44-20-13-9-14-21-44)36-50(37-49)56-38-47(30-31-63-56)43-18-11-8-12-19-43)24-17-25-57(59)65(61)58-34-41(2)53(45-22-15-10-16-23-45)39-54(58)46-26-28-51(29-27-46)62(4,5)6;/h8-36,38-39H,7H2,1-6H3;/q-2;+2/i2D3
• InChIKey: BTGDPVPZWSTIPA-MUTAZJQDSA-N
• XLogP: 16.28
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1052.21
LogP ≤ 5	16.28
H-Bond Donors ≤ 5	0
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 1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazole;platinum(2+)?

The IUPAC name of 1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazole;platinum(2+) (CID 167356002) is 1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazole;platinum(2+).

What is the SMILES notation for 1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazole;platinum(2+)?

The canonical SMILES for 1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazole;platinum(2+) is [2H]C([2H])([2H])c1cc(-n2c(-c3cc(C)cc(C)c3O[CH2-])nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(-c5ccccc5)c4)cccc32)c(-c2ccc(C(C)(C)C)cc2)cc1-c1ccccc1.[Pt+2].

What is the InChIKey of 1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazole;platinum(2+)?

The InChIKey is BTGDPVPZWSTIPA-MUTAZJQDSA-N. The full InChI is InChI=1S/C62H51N3O.Pt/c1-40-32-42(3)60(66-7)55(33-40)61-64-59-52(49-35-48(44-20-13-9-14-21-44)36-50(37-49)56-38-47(30-31-63-56)43-18-11-8-12-19-43)24-17-25-57(59)65(61)58-34-41(2)53(45-22-15-10-16-23-45)39-54(58)46-26-28-51(29-27-46)62(4,5)6;/h8-36,38-39H,7H2,1-6H3;/q-2;+2/i2D3;.

What are the key properties of 1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazole;platinum(2+)?

1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazole;platinum(2+) has a molecular weight of 1052.21 g/mol, XLogP of 16.28, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-tert-butylphenyl)-4-phenyl-5-(trideuteriomethyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazole;platinum(2+) is sourced from PubChem (CID 167356002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).