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

C41H28F3N5Pt — CID 177105718

About 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-benzimidazol-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-benzimidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide (PubChem CID 177105718) has the molecular formula C41H28F3N5Pt and a molecular weight of 842.78 g/mol. Its IUPAC name is 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-benzimidazol-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-benzimidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide
• PubChem CID: 177105718
• Molecular Formula: C41H28F3N5Pt
• Molecular Weight: 842.78 g/mol
• Exact Mass: 842.19
• IUPAC Name: 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide
• SMILES: CN1[CH-]N(c2[c-]c(N3[CH-]N(c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc43)cc(C(F)(F)F)c2)c2ccccc21.[C-]#N.[Pt+4]
• InChI: InChI=1S/C40H28F3N4.CN.Pt/c1-44-26-45(36-20-9-8-19-35(36)44)31-23-30(40(41,42)43)24-32(25-31)46-27-47(38-22-11-10-21-37(38)46)39-33(28-13-4-2-5-14-28)17-12-18-34(39)29-15-6-3-7-16-29;1-2;/h2-24,26-27H,1H3;;/q-3;-1;+4
• InChIKey: WCZZUXGZVPZWCG-UHFFFAOYSA-N
• XLogP: 11.05
• TPSA: 36.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	842.78
LogP ≤ 5	11.05
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-benzimidazol-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-benzimidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide (CID 177105718) is 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-benzimidazol-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-benzimidazol-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-benzimidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide is CN1[CH-]N(c2[c-]c(N3[CH-]N(c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc43)cc(C(F)(F)F)c2)c2ccccc21.[C-]#N.[Pt+4].

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

The InChIKey is WCZZUXGZVPZWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28F3N4.CN.Pt/c1-44-26-45(36-20-9-8-19-35(36)44)31-23-30(40(41,42)43)24-32(25-31)46-27-47(38-22-11-10-21-37(38)46)39-33(28-13-4-2-5-14-28)17-12-18-34(39)29-15-6-3-7-16-29;1-2;/h2-24,26-27H,1H3;;/q-3;-1;+4.

What are the key properties of 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-benzimidazol-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-benzimidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide has a molecular weight of 842.78 g/mol, XLogP of 11.05, 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-benzimidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide is sourced from PubChem (CID 177105718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).