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

C55H53N3OPt — CID 167355545

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

1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+) (PubChem CID 167355545) has the molecular formula C55H53N3OPt and a molecular weight of 977.19 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+).

Molecular Properties

• Compound Name: 1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+)
• PubChem CID: 167355545
• Molecular Formula: C55H53N3OPt
• Molecular Weight: 977.19 g/mol
• Exact Mass: 976.45
• IUPAC Name: 1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+)
• SMILES: [2H]c1c([2H])c(C([2H])([2H])[2H])c([2H])c([2H])c1-c1ccnc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C)cc(C)c3O[CH2-])n4-c3ccc(C([2H])([2H])[2H])cc3-c3ccc(C(C)(C)C)cc3)cc(C(C)(C)C)c2)c1.[Pt+2]
• InChI: InChI=1S/C55H53N3O.Pt/c1-34-15-18-38(19-16-34)40-25-26-56-48(33-40)42-30-41(31-44(32-42)55(8,9)10)45-13-12-14-50-51(45)57-53(47-29-36(3)27-37(4)52(47)59-11)58(50)49-24-17-35(2)28-46(49)39-20-22-43(23-21-39)54(5,6)7;/h12-29,31-33H,11H2,1-10H3;/q-2;+2/i1D3,2D3,15D,16D,18D,19D
• InChIKey: CIIXOCAULIOMHJ-GSBHAXCFSA-N
• XLogP: 14.55
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	977.19
LogP ≤ 5	14.55
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-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+)?

The IUPAC name of 1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+) (CID 167355545) is 1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+).

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

The canonical SMILES for 1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+) is [2H]c1c([2H])c(C([2H])([2H])[2H])c([2H])c([2H])c1-c1ccnc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C)cc(C)c3O[CH2-])n4-c3ccc(C([2H])([2H])[2H])cc3-c3ccc(C(C)(C)C)cc3)cc(C(C)(C)C)c2)c1.[Pt+2].

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

The InChIKey is CIIXOCAULIOMHJ-GSBHAXCFSA-N. The full InChI is InChI=1S/C55H53N3O.Pt/c1-34-15-18-38(19-16-34)40-25-26-56-48(33-40)42-30-41(31-44(32-42)55(8,9)10)45-13-12-14-50-51(45)57-53(47-29-36(3)27-37(4)52(47)59-11)58(50)49-24-17-35(2)28-46(49)39-20-22-43(23-21-39)54(5,6)7;/h12-29,31-33H,11H2,1-10H3;/q-2;+2/i1D3,2D3,15D,16D,18D,19D;.

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

1-[2-(4-tert-butylphenyl)-4-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+) has a molecular weight of 977.19 g/mol, XLogP of 14.55, 9 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-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)benzimidazole;platinum(2+) is sourced from PubChem (CID 167355545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).