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

C50H43N3OPt — CID 167356266

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

4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+) (PubChem CID 167356266) has the molecular formula C50H43N3OPt and a molecular weight of 905.04 g/mol. Its IUPAC name is 4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+).

Molecular Properties

• Compound Name: 4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+)
• PubChem CID: 167356266
• Molecular Formula: C50H43N3OPt
• Molecular Weight: 905.04 g/mol
• Exact Mass: 904.36
• IUPAC Name: 4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+)
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C)cc(C)c4O[CH2-])n5-c4cc(-c5ccccc5)cc(C([2H])([2H])[2H])c4)cc(C(C)(C)C)c3)c2)c([2H])c1[2H].[Pt+2]
• InChI: InChI=1S/C50H43N3O.Pt/c1-32-23-34(3)48(54-7)44(26-32)49-52-47-43(19-14-20-46(47)53(49)42-25-33(2)24-38(30-42)36-17-12-9-13-18-36)39-27-40(29-41(28-39)50(4,5)6)45-31-37(21-22-51-45)35-15-10-8-11-16-35;/h8-26,28-31H,7H2,1-6H3;/q-2;+2/i2D3,8D,10D,11D,15D,16D
• InChIKey: GJYLTKWJLOPLRN-GEXJUHLTSA-N
• XLogP: 12.95
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	905.04
LogP ≤ 5	12.95
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-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+)?

The IUPAC name of 4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+) (CID 167356266) is 4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+).

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

The canonical SMILES for 4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+) is [2H]c1c([2H])c([2H])c(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C)cc(C)c4O[CH2-])n5-c4cc(-c5ccccc5)cc(C([2H])([2H])[2H])c4)cc(C(C)(C)C)c3)c2)c([2H])c1[2H].[Pt+2].

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

The InChIKey is GJYLTKWJLOPLRN-GEXJUHLTSA-N. The full InChI is InChI=1S/C50H43N3O.Pt/c1-32-23-34(3)48(54-7)44(26-32)49-52-47-43(19-14-20-46(47)53(49)42-25-33(2)24-38(30-42)36-17-12-9-13-18-36)39-27-40(29-41(28-39)50(4,5)6)45-31-37(21-22-51-45)35-15-10-8-11-16-35;/h8-26,28-31H,7H2,1-6H3;/q-2;+2/i2D3,8D,10D,11D,15D,16D;.

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

4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+) has a molecular weight of 905.04 g/mol, XLogP of 12.95, 8 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-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+) is sourced from PubChem (CID 167356266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).