1-cyclohexyl-3-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;iridium;1-phenyl-3-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)butyl]-2H-benzimidazol-2-ide;platinum

C68H60IrN8OPt-8 — CID 165377461

About 1-cyclohexyl-3-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;iridium;1-phenyl-3-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)butyl]-2H-benzimidazol-2-ide;platinum

1-cyclohexyl-3-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;iridium;1-phenyl-3-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)butyl]-2H-benzimidazol-2-ide;platinum (PubChem CID 165377461) has the molecular formula C68H60IrN8OPt-8 and a molecular weight of 1392.58 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;iridium;1-phenyl-3-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)butyl]-2H-benzimidazol-2-ide;platinum.

Molecular Properties

• Compound Name: 1-cyclohexyl-3-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;iridium;1-phenyl-3-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)butyl]-2H-benzimidazol-2-ide;platinum
• PubChem CID: 165377461
• Molecular Formula: C68H60IrN8OPt-8
• Molecular Weight: 1392.58 g/mol
• Exact Mass: 1392.42
• IUPAC Name: 1-cyclohexyl-3-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;iridium;1-phenyl-3-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)butyl]-2H-benzimidazol-2-ide;platinum
• SMILES: Cc1cc(C)c(-c2cc(Oc3[c-]c(-c4[c-]cccn4)ncc3)[c-]c(N3[CH-]N(C4CCCCC4)c4ccccc43)c2)c(C)c1.[Ir].[Pt].[c-]1ccccc1N1[CH-]N(CCCCN2[CH-]N(c3[c-]cccc3)c3ccccc32)c2ccccc21
• InChI: InChI=1S/C38H34N4O.C30H26N4.Ir.Pt/c1-26-19-27(2)38(28(3)20-26)29-21-31(42-25-41(30-11-5-4-6-12-30)36-14-7-8-15-37(36)42)23-33(22-29)43-32-16-18-40-35(24-32)34-13-9-10-17-39-34;1-3-13-25(14-4-1)33-23-31(27-17-7-9-19-29(27)33)21-11-12-22-32-24-34(26-15-5-2-6-16-26)30-20-10-8-18-28(30)32;;/h7-10,14-22,25,30H,4-6,11-12H2,1-3H3;1-10,13,15,17-20,23-24H,11-12,21-22H2;;/q2*-4
• InChIKey: WNNNXMGRKNLDAX-UHFFFAOYSA-N
• XLogP: 16.26
• TPSA: 54.45 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1392.58
LogP ≤ 5	16.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;iridium;1-phenyl-3-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)butyl]-2H-benzimidazol-2-ide;platinum?

The IUPAC name of 1-cyclohexyl-3-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;iridium;1-phenyl-3-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)butyl]-2H-benzimidazol-2-ide;platinum (CID 165377461) is 1-cyclohexyl-3-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;iridium;1-phenyl-3-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)butyl]-2H-benzimidazol-2-ide;platinum.

What is the SMILES notation for 1-cyclohexyl-3-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;iridium;1-phenyl-3-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)butyl]-2H-benzimidazol-2-ide;platinum?

The canonical SMILES for 1-cyclohexyl-3-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;iridium;1-phenyl-3-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)butyl]-2H-benzimidazol-2-ide;platinum is Cc1cc(C)c(-c2cc(Oc3[c-]c(-c4[c-]cccn4)ncc3)[c-]c(N3[CH-]N(C4CCCCC4)c4ccccc43)c2)c(C)c1.[Ir].[Pt].[c-]1ccccc1N1[CH-]N(CCCCN2[CH-]N(c3[c-]cccc3)c3ccccc32)c2ccccc21.

What is the InChIKey of 1-cyclohexyl-3-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;iridium;1-phenyl-3-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)butyl]-2H-benzimidazol-2-ide;platinum?

The InChIKey is WNNNXMGRKNLDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N4O.C30H26N4.Ir.Pt/c1-26-19-27(2)38(28(3)20-26)29-21-31(42-25-41(30-11-5-4-6-12-30)36-14-7-8-15-37(36)42)23-33(22-29)43-32-16-18-40-35(24-32)34-13-9-10-17-39-34;1-3-13-25(14-4-1)33-23-31(27-17-7-9-19-29(27)33)21-11-12-22-32-24-34(26-15-5-2-6-16-26)30-20-10-8-18-28(30)32;;/h7-10,14-22,25,30H,4-6,11-12H2,1-3H3;1-10,13,15,17-20,23-24H,11-12,21-22H2;;/q2*-4;;.

What are the key properties of 1-cyclohexyl-3-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;iridium;1-phenyl-3-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)butyl]-2H-benzimidazol-2-ide;platinum?

1-cyclohexyl-3-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;iridium;1-phenyl-3-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)butyl]-2H-benzimidazol-2-ide;platinum has a molecular weight of 1392.58 g/mol, XLogP of 16.26, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-3-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;iridium;1-phenyl-3-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)butyl]-2H-benzimidazol-2-ide;platinum is sourced from PubChem (CID 165377461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).