1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide

C₃₇H₂₆F₃N₅Pt — CID 177105806

About 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide

1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide (PubChem CID 177105806) has the molecular formula C₃₇H₂₆F₃N₅Pt and a molecular weight of 792.72 g/mol. Its IUPAC name is 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide.

Molecular Properties

• Compound Name: 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide
• PubChem CID: 177105806
• Molecular Formula: C₃₇H₂₆F₃N₅Pt
• Molecular Weight: 792.72 g/mol
• Exact Mass: 792.18
• IUPAC Name: 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide
• SMILES: CN1C=CN(c2[c-]c(N3[CH-]N(c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc43)cc(C(F)(F)F)c2)[CH-]1.[C-]#N.[Pt+4]
• InChI: InChI=1S/C36H26F3N4.CN.Pt/c1-40-19-20-41(24-40)29-21-28(36(37,38)39)22-30(23-29)42-25-43(34-18-9-8-17-33(34)42)35-31(26-11-4-2-5-12-26)15-10-16-32(35)27-13-6-3-7-14-27;1-2;/h2-22,24-25H,1H3;;/q-3;-1;+4
• InChIKey: IWAONLPFXCTICY-UHFFFAOYSA-N
• XLogP: 9.68
• TPSA: 36.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.72
LogP ≤ 5	9.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide?

The IUPAC name of 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide (CID 177105806) is 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide.

What is the SMILES notation for 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide?

The canonical SMILES for 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide is CN1C=CN(c2[c-]c(N3[CH-]N(c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc43)cc(C(F)(F)F)c2)[CH-]1.[C-]#N.[Pt+4].

What is the InChIKey of 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide?

The InChIKey is IWAONLPFXCTICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26F3N4.CN.Pt/c1-40-19-20-41(24-40)29-21-28(36(37,38)39)22-30(23-29)42-25-43(34-18-9-8-17-33(34)42)35-31(26-11-4-2-5-12-26)15-10-16-32(35)27-13-6-3-7-14-27;1-2;/h2-22,24-25H,1H3;;/q-3;-1;+4.

What are the key properties of 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide?

1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide has a molecular weight of 792.72 g/mol, XLogP of 9.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide is sourced from PubChem (CID 177105806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 177105806 — identifiers, structure, computed properties (public domain)

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