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

C57H39N5Pt — CID 177105798

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

1-(2,6-diphenylphenyl)-3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide (PubChem CID 177105798) has the molecular formula C57H39N5Pt and a molecular weight of 989.05 g/mol. Its IUPAC name is 1-(2,6-diphenylphenyl)-3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide.

Molecular Properties

• Compound Name: 1-(2,6-diphenylphenyl)-3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide
• PubChem CID: 177105798
• Molecular Formula: C57H39N5Pt
• Molecular Weight: 989.05 g/mol
• Exact Mass: 988.29
• IUPAC Name: 1-(2,6-diphenylphenyl)-3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide
• SMILES: [C-]#N.[Pt+4].[c-]1c(N2[CH-]N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)cccc1N1[CH-]N(c2c(-c3ccccc3)cccc2-c2ccccc2)c2ccccc21
• InChI: InChI=1S/C56H39N4.CN.Pt/c1-5-20-41(21-6-1)47-30-18-31-48(42-22-7-2-8-23-42)55(47)59-39-57(51-34-13-15-36-53(51)59)45-28-17-29-46(38-45)58-40-60(54-37-16-14-35-52(54)58)56-49(43-24-9-3-10-25-43)32-19-33-50(56)44-26-11-4-12-27-44;1-2;/h1-37,39-40H;;/q-3;-1;+4
• InChIKey: AAJPPCRUDAJRRP-UHFFFAOYSA-N
• XLogP: 15.07
• TPSA: 36.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	989.05
LogP ≤ 5	15.07
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-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide?

The IUPAC name of 1-(2,6-diphenylphenyl)-3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide (CID 177105798) is 1-(2,6-diphenylphenyl)-3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]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-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide?

The canonical SMILES for 1-(2,6-diphenylphenyl)-3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide is [C-]#N.[Pt+4].[c-]1c(N2[CH-]N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)cccc1N1[CH-]N(c2c(-c3ccccc3)cccc2-c2ccccc2)c2ccccc21.

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

The InChIKey is AAJPPCRUDAJRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N4.CN.Pt/c1-5-20-41(21-6-1)47-30-18-31-48(42-22-7-2-8-23-42)55(47)59-39-57(51-34-13-15-36-53(51)59)45-28-17-29-46(38-45)58-40-60(54-37-16-14-35-52(54)58)56-49(43-24-9-3-10-25-43)32-19-33-50(56)44-26-11-4-12-27-44;1-2;/h1-37,39-40H;;/q-3;-1;+4.

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

1-(2,6-diphenylphenyl)-3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide has a molecular weight of 989.05 g/mol, XLogP of 15.07, 8 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-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide is sourced from PubChem (CID 177105798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).