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)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+)

C51H45N3OPt — CID 167356170

About 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)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+)

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)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+) (PubChem CID 167356170) has the molecular formula C51H45N3OPt and a molecular weight of 921.08 g/mol. Its IUPAC name is 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)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+).

Molecular Properties

• Compound Name: 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)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+)
• PubChem CID: 167356170
• Molecular Formula: C51H45N3OPt
• Molecular Weight: 921.08 g/mol
• Exact Mass: 920.38
• IUPAC Name: 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)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]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-c3cc(-c4ccccc4)cc(C([2H])([2H])[2H])c3)cc(C(C)(C)C)c2)c1.[Pt+2]
• InChI: InChI=1S/C51H45N3O.Pt/c1-32-17-19-37(20-18-32)38-21-22-52-46(31-38)41-27-40(28-42(29-41)51(5,6)7)44-15-12-16-47-48(44)53-50(45-26-33(2)23-35(4)49(45)55-8)54(47)43-25-34(3)24-39(30-43)36-13-10-9-11-14-36;/h9-26,28-31H,8H2,1-7H3;/q-2;+2/i1D3,3D3,17D,18D,19D,20D
• InChIKey: YDNAWURMPSZGIA-HWNDRLSNSA-N
• XLogP: 13.25
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	921.08
LogP ≤ 5	13.25
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-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-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-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+) (CID 167356170) is 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)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+).

What is the SMILES notation for 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)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+)?

The canonical SMILES for 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)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]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-c3cc(-c4ccccc4)cc(C([2H])([2H])[2H])c3)cc(C(C)(C)C)c2)c1.[Pt+2].

What is the InChIKey of 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)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+)?

The InChIKey is YDNAWURMPSZGIA-HWNDRLSNSA-N. The full InChI is InChI=1S/C51H45N3O.Pt/c1-32-17-19-37(20-18-32)38-21-22-52-46(31-38)41-27-40(28-42(29-41)51(5,6)7)44-15-12-16-47-48(44)53-50(45-26-33(2)23-35(4)49(45)55-8)54(47)43-25-34(3)24-39(30-43)36-13-10-9-11-14-36;/h9-26,28-31H,8H2,1-7H3;/q-2;+2/i1D3,3D3,17D,18D,19D,20D;.

What are the key properties of 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)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+)?

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)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+) has a molecular weight of 921.08 g/mol, XLogP of 13.25, 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-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-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 167356170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).