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

C65H55N5Pt — CID 177105808

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

1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide (PubChem CID 177105808) has the molecular formula C65H55N5Pt and a molecular weight of 1101.27 g/mol. Its IUPAC name is 1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[3-(4-tert-butyl-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-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide
• PubChem CID: 177105808
• Molecular Formula: C65H55N5Pt
• Molecular Weight: 1101.27 g/mol
• Exact Mass: 1100.41
• IUPAC Name: 1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide
• SMILES: CC(C)(C)c1cc(-c2ccccc2)c(N2[CH-]N(c3[c-]c(N4[CH-]N(c5c(-c6ccccc6)cc(C(C)(C)C)cc5-c5ccccc5)c5ccccc54)ccc3)c3ccccc32)c(-c2ccccc2)c1.[C-]#N.[Pt+4]
• InChI: InChI=1S/C64H55N4.CN.Pt/c1-63(2,3)49-38-53(45-24-11-7-12-25-45)61(54(39-49)46-26-13-8-14-27-46)67-43-65(57-34-19-21-36-59(57)67)51-32-23-33-52(42-51)66-44-68(60-37-22-20-35-58(60)66)62-55(47-28-15-9-16-29-47)40-50(64(4,5)6)41-56(62)48-30-17-10-18-31-48;1-2;/h7-41,43-44H,1-6H3;;/q-3;-1;+4
• InChIKey: WKCZGJWXILSVSR-UHFFFAOYSA-N
• XLogP: 17.66
• TPSA: 36.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1101.27
LogP ≤ 5	17.66
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-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[3-(4-tert-butyl-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-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide (CID 177105808) is 1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[3-(4-tert-butyl-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-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[3-(4-tert-butyl-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-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide is CC(C)(C)c1cc(-c2ccccc2)c(N2[CH-]N(c3[c-]c(N4[CH-]N(c5c(-c6ccccc6)cc(C(C)(C)C)cc5-c5ccccc5)c5ccccc54)ccc3)c3ccccc32)c(-c2ccccc2)c1.[C-]#N.[Pt+4].

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

The InChIKey is WKCZGJWXILSVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H55N4.CN.Pt/c1-63(2,3)49-38-53(45-24-11-7-12-25-45)61(54(39-49)46-26-13-8-14-27-46)67-43-65(57-34-19-21-36-59(57)67)51-32-23-33-52(42-51)66-44-68(60-37-22-20-35-58(60)66)62-55(47-28-15-9-16-29-47)40-50(64(4,5)6)41-56(62)48-30-17-10-18-31-48;1-2;/h7-41,43-44H,1-6H3;;/q-3;-1;+4.

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

1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[3-(4-tert-butyl-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 1101.27 g/mol, XLogP of 17.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[3-(4-tert-butyl-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 177105808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).