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

C57H57N3OPt — CID 167356354

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

4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+) (PubChem CID 167356354) has the molecular formula C57H57N3OPt and a molecular weight of 999.21 g/mol. Its IUPAC name is 4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+).

Molecular Properties

• Compound Name: 4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+)
• PubChem CID: 167356354
• Molecular Formula: C57H57N3OPt
• Molecular Weight: 999.21 g/mol
• Exact Mass: 998.44
• IUPAC Name: 4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+)
• SMILES: [2H]C([2H])([2H])c1ccc(-n2c(-c3cc(C)cc(C)c3O[CH2-])nc3c(-c4[c-]c(-c5cc(-c6ccc(C([2H])(C)C)cc6)ccn5)cc(C(C)(C)C)c4)cccc32)c(-c2ccc(C(C)(C)C)cc2)c1.[Pt+2]
• InChI: InChI=1S/C57H57N3O.Pt/c1-35(2)39-17-19-40(20-18-39)42-26-27-58-50(34-42)44-31-43(32-46(33-44)57(9,10)11)47-14-13-15-52-53(47)59-55(49-30-37(4)28-38(5)54(49)61-12)60(52)51-25-16-36(3)29-48(51)41-21-23-45(24-22-41)56(6,7)8;/h13-30,32-35H,12H2,1-11H3;/q-2;+2/i3D3,35D
• InChIKey: MDQWYBAARYPXGT-FCQGLCFYSA-N
• XLogP: 15.37
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	999.21
LogP ≤ 5	15.37
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 4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+)?

The IUPAC name of 4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+) (CID 167356354) is 4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+).

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

The canonical SMILES for 4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+) is [2H]C([2H])([2H])c1ccc(-n2c(-c3cc(C)cc(C)c3O[CH2-])nc3c(-c4[c-]c(-c5cc(-c6ccc(C([2H])(C)C)cc6)ccn5)cc(C(C)(C)C)c4)cccc32)c(-c2ccc(C(C)(C)C)cc2)c1.[Pt+2].

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

The InChIKey is MDQWYBAARYPXGT-FCQGLCFYSA-N. The full InChI is InChI=1S/C57H57N3O.Pt/c1-35(2)39-17-19-40(20-18-39)42-26-27-58-50(34-42)44-31-43(32-46(33-44)57(9,10)11)47-14-13-15-52-53(47)59-55(49-30-37(4)28-38(5)54(49)61-12)60(52)51-25-16-36(3)29-48(51)41-21-23-45(24-22-41)56(6,7)8;/h13-30,32-35H,12H2,1-11H3;/q-2;+2/i3D3,35D;.

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

4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+) has a molecular weight of 999.21 g/mol, XLogP of 15.37, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+) is sourced from PubChem (CID 167356354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).