6-[4-(2,6-dimethyl-4-phenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;1,2-dimethyl-6-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;6-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;pentakis(iridium)

C116H108Ir5N25-5 — CID 159174474

About 6-[4-(2,6-dimethyl-4-phenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;1,2-dimethyl-6-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;6-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;pentakis(iridium)

6-[4-(2,6-dimethyl-4-phenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;1,2-dimethyl-6-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;6-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;pentakis(iridium) (PubChem CID 159174474) has the molecular formula C116H108Ir5N25-5 and a molecular weight of 2813.40 g/mol. Its IUPAC name is 6-[4-(2,6-dimethyl-4-phenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;1,2-dimethyl-6-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;6-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;pentakis(iridium).

Molecular Properties

• Compound Name: 6-[4-(2,6-dimethyl-4-phenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;1,2-dimethyl-6-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;6-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;pentakis(iridium)
• PubChem CID: 159174474
• Molecular Formula: C116H108Ir5N25-5
• Molecular Weight: 2813.40 g/mol
• Exact Mass: 2815.74
• IUPAC Name: 6-[4-(2,6-dimethyl-4-phenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;1,2-dimethyl-6-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;6-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;pentakis(iridium)
• SMILES: Cc1cc(-c2ccccc2)cc(C)c1-n1cnnc1-c1[c-]cc2nc(C)n(C)c2c1.Cc1cc(C)c(-n2cnnc2-c2[c-]cc3nc(C)n(C)c3c2)c(C)c1.Cc1cccc(C)c1-n1cnnc1-c1[c-]cc2nc(C)n(C)c2c1.Cc1nc2c[c-]c(-c3nncn3-c3c(-c4ccccc4)cccc3-c3ccccc3)cc2n1C.Cc1nc2c[c-]c(-c3nncn3-c3c(C(C)C)cccc3C(C)C)cc2n1C.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C29H22N5.C25H22N5.C23H26N5.C20H20N5.C19H18N5.5Ir/c1-20-31-26-17-16-23(18-27(26)33(20)2)29-32-30-19-34(29)28-24(21-10-5-3-6-11-21)14-9-15-25(28)22-12-7-4-8-13-22;1-16-12-21(19-8-6-5-7-9-19)13-17(2)24(16)30-15-26-28-25(30)20-10-11-22-23(14-20)29(4)18(3)27-22;1-14(2)18-8-7-9-19(15(3)4)22(18)28-13-24-26-23(28)17-10-11-20-21(12-17)27(6)16(5)25-20;1-12-8-13(2)19(14(3)9-12)25-11-21-23-20(25)16-6-7-17-18(10-16)24(5)15(4)22-17;1-12-6-5-7-13(2)18(12)24-11-20-22-19(24)15-8-9-16-17(10-15)23(4)14(3)21-16;;;;;/h3-15,17-19H,1-2H3;5-9,11-15H,1-4H3;7-9,11-15H,1-6H3;7-11H,1-5H3;5-7,9-11H,1-4H3;;;;;/q5*-1
• InChIKey: HPYKMNYXLXYFBA-UHFFFAOYSA-N
• XLogP: 24.04
• TPSA: 242.65 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2813.40
LogP ≤ 5	24.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,6-dimethyl-4-phenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;1,2-dimethyl-6-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;6-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;pentakis(iridium)?

The IUPAC name of 6-[4-(2,6-dimethyl-4-phenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;1,2-dimethyl-6-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;6-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;pentakis(iridium) (CID 159174474) is 6-[4-(2,6-dimethyl-4-phenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;1,2-dimethyl-6-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;6-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;pentakis(iridium).

What is the SMILES notation for 6-[4-(2,6-dimethyl-4-phenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;1,2-dimethyl-6-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;6-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;pentakis(iridium)?

The canonical SMILES for 6-[4-(2,6-dimethyl-4-phenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;1,2-dimethyl-6-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;6-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;pentakis(iridium) is Cc1cc(-c2ccccc2)cc(C)c1-n1cnnc1-c1[c-]cc2nc(C)n(C)c2c1.Cc1cc(C)c(-n2cnnc2-c2[c-]cc3nc(C)n(C)c3c2)c(C)c1.Cc1cccc(C)c1-n1cnnc1-c1[c-]cc2nc(C)n(C)c2c1.Cc1nc2c[c-]c(-c3nncn3-c3c(-c4ccccc4)cccc3-c3ccccc3)cc2n1C.Cc1nc2c[c-]c(-c3nncn3-c3c(C(C)C)cccc3C(C)C)cc2n1C.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 6-[4-(2,6-dimethyl-4-phenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;1,2-dimethyl-6-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;6-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;pentakis(iridium)?

The InChIKey is HPYKMNYXLXYFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N5.C25H22N5.C23H26N5.C20H20N5.C19H18N5.5Ir/c1-20-31-26-17-16-23(18-27(26)33(20)2)29-32-30-19-34(29)28-24(21-10-5-3-6-11-21)14-9-15-25(28)22-12-7-4-8-13-22;1-16-12-21(19-8-6-5-7-9-19)13-17(2)24(16)30-15-26-28-25(30)20-10-11-22-23(14-20)29(4)18(3)27-22;1-14(2)18-8-7-9-19(15(3)4)22(18)28-13-24-26-23(28)17-10-11-20-21(12-17)27(6)16(5)25-20;1-12-8-13(2)19(14(3)9-12)25-11-21-23-20(25)16-6-7-17-18(10-16)24(5)15(4)22-17;1-12-6-5-7-13(2)18(12)24-11-20-22-19(24)15-8-9-16-17(10-15)23(4)14(3)21-16;;;;;/h3-15,17-19H,1-2H3;5-9,11-15H,1-4H3;7-9,11-15H,1-6H3;7-11H,1-5H3;5-7,9-11H,1-4H3;;;;;/q5*-1;;;;;.

What are the key properties of 6-[4-(2,6-dimethyl-4-phenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;1,2-dimethyl-6-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;6-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;pentakis(iridium)?

6-[4-(2,6-dimethyl-4-phenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;1,2-dimethyl-6-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;6-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;pentakis(iridium) has a molecular weight of 2813.40 g/mol, XLogP of 24.04, 15 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(2,6-dimethyl-4-phenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;1,2-dimethyl-6-[4-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]-5H-benzimidazol-5-ide;6-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;6-[4-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]-1,2-dimethyl-5H-benzimidazol-5-ide;pentakis(iridium) is sourced from PubChem (CID 159174474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).