1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(2-[diphenyl(phenyl)methyl]pyridine);1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium)

C133H119Ir3N9-6 — CID 159200980

About 1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(2-[diphenyl(phenyl)methyl]pyridine);1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium)

1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(2-[diphenyl(phenyl)methyl]pyridine);1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium) (PubChem CID 159200980) has the molecular formula C133H119Ir3N9-6 and a molecular weight of 2420.13 g/mol. Its IUPAC name is 1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(2-[diphenyl(phenyl)methyl]pyridine);1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium).

Molecular Properties

• Compound Name: 1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(2-[diphenyl(phenyl)methyl]pyridine);1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium)
• PubChem CID: 159200980
• Molecular Formula: C133H119Ir3N9-6
• Molecular Weight: 2420.13 g/mol
• Exact Mass: 2420.85
• IUPAC Name: 1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(2-[diphenyl(phenyl)methyl]pyridine);1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium)
• SMILES: CC(C)Cc1cccc(CC(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[c-]1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccn1.[c-]1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccn1.[c-]1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccn1
• InChI: InChI=1S/3C24H18N.C23H27N2.C21H23N2.C17H15N2.3Ir/c3*1-4-12-20(13-5-1)24(21-14-6-2-7-15-21,22-16-8-3-9-17-22)23-18-10-11-19-25-23;1-17(2)15-20-11-8-12-21(16-18(3)4)22(20)25-14-13-24-23(25)19-9-6-5-7-10-19;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;1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;;;/h3*1-16,18-19H;5-9,11-14,17-18H,15-16H2,1-4H3;5-9,11-16H,1-4H3;3-9,11-12H,1-2H3;;;/q6*-1
• InChIKey: USLOJLSNDUSTCD-UHFFFAOYSA-N
• XLogP: 31.07
• TPSA: 92.13 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 24
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2420.13
LogP ≤ 5	31.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(2-[diphenyl(phenyl)methyl]pyridine);1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium)?

The IUPAC name of 1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(2-[diphenyl(phenyl)methyl]pyridine);1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium) (CID 159200980) is 1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(2-[diphenyl(phenyl)methyl]pyridine);1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium).

What is the SMILES notation for 1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(2-[diphenyl(phenyl)methyl]pyridine);1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium)?

The canonical SMILES for 1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(2-[diphenyl(phenyl)methyl]pyridine);1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium) is CC(C)Cc1cccc(CC(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[c-]1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccn1.[c-]1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccn1.[c-]1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccn1.

What is the InChIKey of 1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(2-[diphenyl(phenyl)methyl]pyridine);1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium)?

The InChIKey is USLOJLSNDUSTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H18N.C23H27N2.C21H23N2.C17H15N2.3Ir/c3*1-4-12-20(13-5-1)24(21-14-6-2-7-15-21,22-16-8-3-9-17-22)23-18-10-11-19-25-23;1-17(2)15-20-11-8-12-21(16-18(3)4)22(20)25-14-13-24-23(25)19-9-6-5-7-10-19;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;1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;;;/h3*1-16,18-19H;5-9,11-14,17-18H,15-16H2,1-4H3;5-9,11-16H,1-4H3;3-9,11-12H,1-2H3;;;/q6*-1;;;.

What are the key properties of 1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(2-[diphenyl(phenyl)methyl]pyridine);1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium)?

1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(2-[diphenyl(phenyl)methyl]pyridine);1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium) has a molecular weight of 2420.13 g/mol, XLogP of 31.07, 24 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(2-[diphenyl(phenyl)methyl]pyridine);1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium) is sourced from PubChem (CID 159200980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).