2-(2H-1-benzofuran-2-id-3-yl)-1-methyl-4-(3-methylphenyl)imidazole;1-[1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]benzimidazole;3-(3,5-dimethylpyrazol-1-yl)-1-(2-methylphenyl)-2H-indol-2-ide;4-(3,4-dimethylthiophen-2-yl)-1-phenyl-2-phenylimidazole;4-(2,4-dimethylthiophen-3-yl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);3-(2-methylphenyl)-1-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)pyrazole

C127H110Ir5N16OS2-6 — CID 158339125

About 2-(2H-1-benzofuran-2-id-3-yl)-1-methyl-4-(3-methylphenyl)imidazole;1-[1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]benzimidazole;3-(3,5-dimethylpyrazol-1-yl)-1-(2-methylphenyl)-2H-indol-2-ide;4-(3,4-dimethylthiophen-2-yl)-1-phenyl-2-phenylimidazole;4-(2,4-dimethylthiophen-3-yl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);3-(2-methylphenyl)-1-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)pyrazole

2-(2H-1-benzofuran-2-id-3-yl)-1-methyl-4-(3-methylphenyl)imidazole;1-[1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]benzimidazole;3-(3,5-dimethylpyrazol-1-yl)-1-(2-methylphenyl)-2H-indol-2-ide;4-(3,4-dimethylthiophen-2-yl)-1-phenyl-2-phenylimidazole;4-(2,4-dimethylthiophen-3-yl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);3-(2-methylphenyl)-1-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)pyrazole (PubChem CID 158339125) has the molecular formula C127H110Ir5N16OS2-6 and a molecular weight of 2901.61 g/mol. Its IUPAC name is 2-(2H-1-benzofuran-2-id-3-yl)-1-methyl-4-(3-methylphenyl)imidazole;1-[1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]benzimidazole;3-(3,5-dimethylpyrazol-1-yl)-1-(2-methylphenyl)-2H-indol-2-ide;4-(3,4-dimethylthiophen-2-yl)-1-phenyl-2-phenylimidazole;4-(2,4-dimethylthiophen-3-yl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);3-(2-methylphenyl)-1-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)pyrazole.

Molecular Properties

• Compound Name: 2-(2H-1-benzofuran-2-id-3-yl)-1-methyl-4-(3-methylphenyl)imidazole;1-[1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]benzimidazole;3-(3,5-dimethylpyrazol-1-yl)-1-(2-methylphenyl)-2H-indol-2-ide;4-(3,4-dimethylthiophen-2-yl)-1-phenyl-2-phenylimidazole;4-(2,4-dimethylthiophen-3-yl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);3-(2-methylphenyl)-1-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)pyrazole
• PubChem CID: 158339125
• Molecular Formula: C127H110Ir5N16OS2-6
• Molecular Weight: 2901.61 g/mol
• Exact Mass: 2903.67
• IUPAC Name: 2-(2H-1-benzofuran-2-id-3-yl)-1-methyl-4-(3-methylphenyl)imidazole;1-[1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]benzimidazole;3-(3,5-dimethylpyrazol-1-yl)-1-(2-methylphenyl)-2H-indol-2-ide;4-(3,4-dimethylthiophen-2-yl)-1-phenyl-2-phenylimidazole;4-(2,4-dimethylthiophen-3-yl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);3-(2-methylphenyl)-1-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)pyrazole
• SMILES: Cc1cc(C)c(-n2cc(-c3c(C)csc3C)nc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)n(-c2[c-]n(-c3ccccc3C)c3ccccc23)n1.Cc1cccc(-c2cn(C)c(-c3[c-]oc4ccccc34)n2)c1.Cc1cccc(C)c1-n1nc(-n2cnc3ccccc32)nc1-c1[c-]cccc1.Cc1ccccc1-c1ccn(-c2[c-]cc3c(c2)CCCC3)n1.Cc1csc(-c2cn(-c3ccccc3)c(-c3[c-]cccc3)n2)c1C.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C24H23N2S.C23H18N5.C21H17N2S.C20H18N3.C20H19N2.C19H15N2O.5Ir/c1-15-11-16(2)23(17(3)12-15)26-13-21(22-18(4)14-27-19(22)5)25-24(26)20-9-7-6-8-10-20;1-16-9-8-10-17(2)21(16)28-22(18-11-4-3-5-12-18)25-23(26-28)27-15-24-19-13-6-7-14-20(19)27;1-15-14-24-20(16(15)2)19-13-23(18-11-7-4-8-12-18)21(22-19)17-9-5-3-6-10-17;1-14-8-4-6-10-18(14)22-13-20(17-9-5-7-11-19(17)22)23-16(3)12-15(2)21-23;1-15-6-2-5-9-19(15)20-12-13-22(21-20)18-11-10-16-7-3-4-8-17(16)14-18;1-13-6-5-7-14(10-13)17-11-21(2)19(20-17)16-12-22-18-9-4-3-8-15(16)18;;;;;/h6-9,11-14H,1-5H3;3-11,13-15H,1-2H3;3-9,11-14H,1-2H3;4-12H,1-3H3;2,5-6,9-10,12-14H,3-4,7-8H2,1H3;3-11H,1-2H3;;;;;/q6*-1
• InChIKey: IRPHRSBVGSSGBY-UHFFFAOYSA-N
• XLogP: 30.65
• TPSA: 155.70 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2901.61
LogP ≤ 5	30.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2H-1-benzofuran-2-id-3-yl)-1-methyl-4-(3-methylphenyl)imidazole;1-[1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]benzimidazole;3-(3,5-dimethylpyrazol-1-yl)-1-(2-methylphenyl)-2H-indol-2-ide;4-(3,4-dimethylthiophen-2-yl)-1-phenyl-2-phenylimidazole;4-(2,4-dimethylthiophen-3-yl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);3-(2-methylphenyl)-1-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)pyrazole?

The IUPAC name of 2-(2H-1-benzofuran-2-id-3-yl)-1-methyl-4-(3-methylphenyl)imidazole;1-[1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]benzimidazole;3-(3,5-dimethylpyrazol-1-yl)-1-(2-methylphenyl)-2H-indol-2-ide;4-(3,4-dimethylthiophen-2-yl)-1-phenyl-2-phenylimidazole;4-(2,4-dimethylthiophen-3-yl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);3-(2-methylphenyl)-1-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)pyrazole (CID 158339125) is 2-(2H-1-benzofuran-2-id-3-yl)-1-methyl-4-(3-methylphenyl)imidazole;1-[1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]benzimidazole;3-(3,5-dimethylpyrazol-1-yl)-1-(2-methylphenyl)-2H-indol-2-ide;4-(3,4-dimethylthiophen-2-yl)-1-phenyl-2-phenylimidazole;4-(2,4-dimethylthiophen-3-yl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);3-(2-methylphenyl)-1-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)pyrazole.

What is the SMILES notation for 2-(2H-1-benzofuran-2-id-3-yl)-1-methyl-4-(3-methylphenyl)imidazole;1-[1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]benzimidazole;3-(3,5-dimethylpyrazol-1-yl)-1-(2-methylphenyl)-2H-indol-2-ide;4-(3,4-dimethylthiophen-2-yl)-1-phenyl-2-phenylimidazole;4-(2,4-dimethylthiophen-3-yl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);3-(2-methylphenyl)-1-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)pyrazole?

The canonical SMILES for 2-(2H-1-benzofuran-2-id-3-yl)-1-methyl-4-(3-methylphenyl)imidazole;1-[1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]benzimidazole;3-(3,5-dimethylpyrazol-1-yl)-1-(2-methylphenyl)-2H-indol-2-ide;4-(3,4-dimethylthiophen-2-yl)-1-phenyl-2-phenylimidazole;4-(2,4-dimethylthiophen-3-yl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);3-(2-methylphenyl)-1-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)pyrazole is Cc1cc(C)c(-n2cc(-c3c(C)csc3C)nc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)n(-c2[c-]n(-c3ccccc3C)c3ccccc23)n1.Cc1cccc(-c2cn(C)c(-c3[c-]oc4ccccc34)n2)c1.Cc1cccc(C)c1-n1nc(-n2cnc3ccccc32)nc1-c1[c-]cccc1.Cc1ccccc1-c1ccn(-c2[c-]cc3c(c2)CCCC3)n1.Cc1csc(-c2cn(-c3ccccc3)c(-c3[c-]cccc3)n2)c1C.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(2H-1-benzofuran-2-id-3-yl)-1-methyl-4-(3-methylphenyl)imidazole;1-[1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]benzimidazole;3-(3,5-dimethylpyrazol-1-yl)-1-(2-methylphenyl)-2H-indol-2-ide;4-(3,4-dimethylthiophen-2-yl)-1-phenyl-2-phenylimidazole;4-(2,4-dimethylthiophen-3-yl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);3-(2-methylphenyl)-1-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)pyrazole?

The InChIKey is IRPHRSBVGSSGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N2S.C23H18N5.C21H17N2S.C20H18N3.C20H19N2.C19H15N2O.5Ir/c1-15-11-16(2)23(17(3)12-15)26-13-21(22-18(4)14-27-19(22)5)25-24(26)20-9-7-6-8-10-20;1-16-9-8-10-17(2)21(16)28-22(18-11-4-3-5-12-18)25-23(26-28)27-15-24-19-13-6-7-14-20(19)27;1-15-14-24-20(16(15)2)19-13-23(18-11-7-4-8-12-18)21(22-19)17-9-5-3-6-10-17;1-14-8-4-6-10-18(14)22-13-20(17-9-5-7-11-19(17)22)23-16(3)12-15(2)21-23;1-15-6-2-5-9-19(15)20-12-13-22(21-20)18-11-10-16-7-3-4-8-17(16)14-18;1-13-6-5-7-14(10-13)17-11-21(2)19(20-17)16-12-22-18-9-4-3-8-15(16)18;;;;;/h6-9,11-14H,1-5H3;3-11,13-15H,1-2H3;3-9,11-14H,1-2H3;4-12H,1-3H3;2,5-6,9-10,12-14H,3-4,7-8H2,1H3;3-11H,1-2H3;;;;;/q6*-1;;;;;.

What are the key properties of 2-(2H-1-benzofuran-2-id-3-yl)-1-methyl-4-(3-methylphenyl)imidazole;1-[1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]benzimidazole;3-(3,5-dimethylpyrazol-1-yl)-1-(2-methylphenyl)-2H-indol-2-ide;4-(3,4-dimethylthiophen-2-yl)-1-phenyl-2-phenylimidazole;4-(2,4-dimethylthiophen-3-yl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);3-(2-methylphenyl)-1-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)pyrazole?

2-(2H-1-benzofuran-2-id-3-yl)-1-methyl-4-(3-methylphenyl)imidazole;1-[1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]benzimidazole;3-(3,5-dimethylpyrazol-1-yl)-1-(2-methylphenyl)-2H-indol-2-ide;4-(3,4-dimethylthiophen-2-yl)-1-phenyl-2-phenylimidazole;4-(2,4-dimethylthiophen-3-yl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);3-(2-methylphenyl)-1-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)pyrazole has a molecular weight of 2901.61 g/mol, XLogP of 30.65, 15 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2H-1-benzofuran-2-id-3-yl)-1-methyl-4-(3-methylphenyl)imidazole;1-[1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]benzimidazole;3-(3,5-dimethylpyrazol-1-yl)-1-(2-methylphenyl)-2H-indol-2-ide;4-(3,4-dimethylthiophen-2-yl)-1-phenyl-2-phenylimidazole;4-(2,4-dimethylthiophen-3-yl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);3-(2-methylphenyl)-1-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)pyrazole is sourced from PubChem (CID 158339125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).