1-(2,6-diethylphenyl)-2-phenylimidazole;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;5-(4-ethenyl-2-methylphenyl)-3-methyl-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole;pentakis(iridium);methane;1-(4-methoxyphenyl)-2-phenylimidazole;3-methyl-5-(2-methylphenyl)-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole

C127H134Ir5N18O-6 — CID 159258153

About 1-(2,6-diethylphenyl)-2-phenylimidazole;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;5-(4-ethenyl-2-methylphenyl)-3-methyl-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole;pentakis(iridium);methane;1-(4-methoxyphenyl)-2-phenylimidazole;3-methyl-5-(2-methylphenyl)-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole

1-(2,6-diethylphenyl)-2-phenylimidazole;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;5-(4-ethenyl-2-methylphenyl)-3-methyl-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole;pentakis(iridium);methane;1-(4-methoxyphenyl)-2-phenylimidazole;3-methyl-5-(2-methylphenyl)-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole (PubChem CID 159258153) has the molecular formula C127H134Ir5N18O-6 and a molecular weight of 2889.68 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-2-phenylimidazole;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;5-(4-ethenyl-2-methylphenyl)-3-methyl-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole;pentakis(iridium);methane;1-(4-methoxyphenyl)-2-phenylimidazole;3-methyl-5-(2-methylphenyl)-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole.

Molecular Properties

• Compound Name: 1-(2,6-diethylphenyl)-2-phenylimidazole;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;5-(4-ethenyl-2-methylphenyl)-3-methyl-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole;pentakis(iridium);methane;1-(4-methoxyphenyl)-2-phenylimidazole;3-methyl-5-(2-methylphenyl)-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole
• PubChem CID: 159258153
• Molecular Formula: C127H134Ir5N18O-6
• Molecular Weight: 2889.68 g/mol
• Exact Mass: 2891.92
• IUPAC Name: 1-(2,6-diethylphenyl)-2-phenylimidazole;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;5-(4-ethenyl-2-methylphenyl)-3-methyl-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole;pentakis(iridium);methane;1-(4-methoxyphenyl)-2-phenylimidazole;3-methyl-5-(2-methylphenyl)-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole
• SMILES: C.C=Cc1ccc(-c2nc(C)nn2-c2[c-]ccc(-n3c(C)c(C)c(C)c3C)c2)c(C)c1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CCc1cccc(CC)c1-n1ccnc1-c1[c-]cccc1.COc1ccc(-n2ccnc2-c2[c-]cccc2)cc1.Cc1cc(CC(C)(C)C)cc(C)c1-n1cnnc1-c1[c-]ccnc1.Cc1nc(-c2ccccc2C)n(-c2[c-]ccc(-n3c(C)c(C)c(C)c3C)c2)n1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C26H27N4.C24H25N4.C21H23N2.C20H23N4.C19H19N2.C16H13N2O.CH4.5Ir/c1-8-22-12-13-25(16(2)14-22)26-27-21(7)28-30(26)24-11-9-10-23(15-24)29-19(5)17(3)18(4)20(29)6;1-15-10-7-8-13-23(15)24-25-20(6)26-28(24)22-12-9-11-21(14-22)27-18(4)16(2)17(3)19(27)5;1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;1-14-9-16(11-20(3,4)5)10-15(2)18(14)24-13-22-23-19(24)17-7-6-8-21-12-17;1-3-15-11-8-12-16(4-2)18(15)21-14-13-20-19(21)17-9-6-5-7-10-17;1-19-15-9-7-14(8-10-15)18-12-11-17-16(18)13-5-3-2-4-6-13;;;;;;/h8-10,12-15H,1H2,2-7H3;7-11,13-14H,1-6H3;5-9,11-16H,1-4H3;6,8-10,12-13H,11H2,1-5H3;5-9,11-14H,3-4H2,1-2H3;2-5,7-12H,1H3;1H4;;;;;/q6*-1
• InChIKey: PAUQRVULHSKLQM-UHFFFAOYSA-N
• XLogP: 29.75
• TPSA: 177.57 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 21
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2889.68
LogP ≤ 5	29.75
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 1-(2,6-diethylphenyl)-2-phenylimidazole;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;5-(4-ethenyl-2-methylphenyl)-3-methyl-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole;pentakis(iridium);methane;1-(4-methoxyphenyl)-2-phenylimidazole;3-methyl-5-(2-methylphenyl)-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole?

The IUPAC name of 1-(2,6-diethylphenyl)-2-phenylimidazole;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;5-(4-ethenyl-2-methylphenyl)-3-methyl-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole;pentakis(iridium);methane;1-(4-methoxyphenyl)-2-phenylimidazole;3-methyl-5-(2-methylphenyl)-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole (CID 159258153) is 1-(2,6-diethylphenyl)-2-phenylimidazole;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;5-(4-ethenyl-2-methylphenyl)-3-methyl-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole;pentakis(iridium);methane;1-(4-methoxyphenyl)-2-phenylimidazole;3-methyl-5-(2-methylphenyl)-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole.

What is the SMILES notation for 1-(2,6-diethylphenyl)-2-phenylimidazole;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;5-(4-ethenyl-2-methylphenyl)-3-methyl-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole;pentakis(iridium);methane;1-(4-methoxyphenyl)-2-phenylimidazole;3-methyl-5-(2-methylphenyl)-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole?

The canonical SMILES for 1-(2,6-diethylphenyl)-2-phenylimidazole;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;5-(4-ethenyl-2-methylphenyl)-3-methyl-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole;pentakis(iridium);methane;1-(4-methoxyphenyl)-2-phenylimidazole;3-methyl-5-(2-methylphenyl)-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole is C.C=Cc1ccc(-c2nc(C)nn2-c2[c-]ccc(-n3c(C)c(C)c(C)c3C)c2)c(C)c1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CCc1cccc(CC)c1-n1ccnc1-c1[c-]cccc1.COc1ccc(-n2ccnc2-c2[c-]cccc2)cc1.Cc1cc(CC(C)(C)C)cc(C)c1-n1cnnc1-c1[c-]ccnc1.Cc1nc(-c2ccccc2C)n(-c2[c-]ccc(-n3c(C)c(C)c(C)c3C)c2)n1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 1-(2,6-diethylphenyl)-2-phenylimidazole;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;5-(4-ethenyl-2-methylphenyl)-3-methyl-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole;pentakis(iridium);methane;1-(4-methoxyphenyl)-2-phenylimidazole;3-methyl-5-(2-methylphenyl)-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole?

The InChIKey is PAUQRVULHSKLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N4.C24H25N4.C21H23N2.C20H23N4.C19H19N2.C16H13N2O.CH4.5Ir/c1-8-22-12-13-25(16(2)14-22)26-27-21(7)28-30(26)24-11-9-10-23(15-24)29-19(5)17(3)18(4)20(29)6;1-15-10-7-8-13-23(15)24-25-20(6)26-28(24)22-12-9-11-21(14-22)27-18(4)16(2)17(3)19(27)5;1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;1-14-9-16(11-20(3,4)5)10-15(2)18(14)24-13-22-23-19(24)17-7-6-8-21-12-17;1-3-15-11-8-12-16(4-2)18(15)21-14-13-20-19(21)17-9-6-5-7-10-17;1-19-15-9-7-14(8-10-15)18-12-11-17-16(18)13-5-3-2-4-6-13;;;;;;/h8-10,12-15H,1H2,2-7H3;7-11,13-14H,1-6H3;5-9,11-16H,1-4H3;6,8-10,12-13H,11H2,1-5H3;5-9,11-14H,3-4H2,1-2H3;2-5,7-12H,1H3;1H4;;;;;/q6*-1;;;;;;.

What are the key properties of 1-(2,6-diethylphenyl)-2-phenylimidazole;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;5-(4-ethenyl-2-methylphenyl)-3-methyl-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole;pentakis(iridium);methane;1-(4-methoxyphenyl)-2-phenylimidazole;3-methyl-5-(2-methylphenyl)-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole?

1-(2,6-diethylphenyl)-2-phenylimidazole;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;5-(4-ethenyl-2-methylphenyl)-3-methyl-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole;pentakis(iridium);methane;1-(4-methoxyphenyl)-2-phenylimidazole;3-methyl-5-(2-methylphenyl)-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole has a molecular weight of 2889.68 g/mol, XLogP of 29.75, 21 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-diethylphenyl)-2-phenylimidazole;3-[4-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-1,2,4-triazol-3-yl]-4H-pyridin-4-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;5-(4-ethenyl-2-methylphenyl)-3-methyl-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole;pentakis(iridium);methane;1-(4-methoxyphenyl)-2-phenylimidazole;3-methyl-5-(2-methylphenyl)-1-[3-(2,3,4,5-tetramethylpyrrol-1-yl)benzene-6-id-1-yl]-1,2,4-triazole is sourced from PubChem (CID 159258153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).