1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(3H-dibenzofuran-3-id-2-yl)imidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dicyclohexyl-4-phenylphenyl)imidazole;1-(2,6-dicyclopentyl-4-phenylphenyl)-2-(4-phenylbenzene-6-id-1-yl)imidazole;tris(iridium)

C111H105Ir3N6O2-3 — CID 158336027

About 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(3H-dibenzofuran-3-id-2-yl)imidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dicyclohexyl-4-phenylphenyl)imidazole;1-(2,6-dicyclopentyl-4-phenylphenyl)-2-(4-phenylbenzene-6-id-1-yl)imidazole;tris(iridium)

1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(3H-dibenzofuran-3-id-2-yl)imidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dicyclohexyl-4-phenylphenyl)imidazole;1-(2,6-dicyclopentyl-4-phenylphenyl)-2-(4-phenylbenzene-6-id-1-yl)imidazole;tris(iridium) (PubChem CID 158336027) has the molecular formula C111H105Ir3N6O2-3 and a molecular weight of 2131.75 g/mol. Its IUPAC name is 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(3H-dibenzofuran-3-id-2-yl)imidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dicyclohexyl-4-phenylphenyl)imidazole;1-(2,6-dicyclopentyl-4-phenylphenyl)-2-(4-phenylbenzene-6-id-1-yl)imidazole;tris(iridium).

Molecular Properties

• Compound Name: 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(3H-dibenzofuran-3-id-2-yl)imidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dicyclohexyl-4-phenylphenyl)imidazole;1-(2,6-dicyclopentyl-4-phenylphenyl)-2-(4-phenylbenzene-6-id-1-yl)imidazole;tris(iridium)
• PubChem CID: 158336027
• Molecular Formula: C111H105Ir3N6O2-3
• Molecular Weight: 2131.75 g/mol
• Exact Mass: 2132.72
• IUPAC Name: 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(3H-dibenzofuran-3-id-2-yl)imidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dicyclohexyl-4-phenylphenyl)imidazole;1-(2,6-dicyclopentyl-4-phenylphenyl)-2-(4-phenylbenzene-6-id-1-yl)imidazole;tris(iridium)
• SMILES: CC(C)Cc1cc(-c2ccccc2)cc(CC(C)C)c1-n1ccnc1-c1[c-]cc2oc3ccccc3c2c1.[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1nccn1-c1c(C2CCCC2)cc(-c2ccccc2)cc1C1CCCC1.[c-]1cc2oc3ccccc3c2cc1-c1nccn1-c1c(C2CCCCC2)cc(-c2ccccc2)cc1C1CCCCC1
• InChI: InChI=1S/C39H37N2O.C37H35N2.C35H33N2O.3Ir/c1-4-12-27(13-5-1)31-25-33(28-14-6-2-7-15-28)38(34(26-31)29-16-8-3-9-17-29)41-23-22-40-39(41)30-20-21-37-35(24-30)32-18-10-11-19-36(32)42-37;1-3-11-27(12-4-1)29-19-21-32(22-20-29)37-38-23-24-39(37)36-34(30-15-7-8-16-30)25-33(28-13-5-2-6-14-28)26-35(36)31-17-9-10-18-31;1-23(2)18-28-20-27(25-10-6-5-7-11-25)21-29(19-24(3)4)34(28)37-17-16-36-35(37)26-14-15-33-31(22-26)30-12-8-9-13-32(30)38-33;;;/h1,4-5,10-13,18-19,21-26,28-29H,2-3,6-9,14-17H2;1-6,11-14,19-21,23-26,30-31H,7-10,15-18H2;5-13,15-17,20-24H,18-19H2,1-4H3;;;/q3*-1
• InChIKey: AILZSRIRGFTYMP-UHFFFAOYSA-N
• XLogP: 30.29
• TPSA: 79.74 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2131.75
LogP ≤ 5	30.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-bis(2-methylpropyl)-4-phenylphenyl]-2-(3H-dibenzofuran-3-id-2-yl)imidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dicyclohexyl-4-phenylphenyl)imidazole;1-(2,6-dicyclopentyl-4-phenylphenyl)-2-(4-phenylbenzene-6-id-1-yl)imidazole;tris(iridium)?

The IUPAC name of 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(3H-dibenzofuran-3-id-2-yl)imidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dicyclohexyl-4-phenylphenyl)imidazole;1-(2,6-dicyclopentyl-4-phenylphenyl)-2-(4-phenylbenzene-6-id-1-yl)imidazole;tris(iridium) (CID 158336027) is 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(3H-dibenzofuran-3-id-2-yl)imidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dicyclohexyl-4-phenylphenyl)imidazole;1-(2,6-dicyclopentyl-4-phenylphenyl)-2-(4-phenylbenzene-6-id-1-yl)imidazole;tris(iridium).

What is the SMILES notation for 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(3H-dibenzofuran-3-id-2-yl)imidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dicyclohexyl-4-phenylphenyl)imidazole;1-(2,6-dicyclopentyl-4-phenylphenyl)-2-(4-phenylbenzene-6-id-1-yl)imidazole;tris(iridium)?

The canonical SMILES for 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(3H-dibenzofuran-3-id-2-yl)imidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dicyclohexyl-4-phenylphenyl)imidazole;1-(2,6-dicyclopentyl-4-phenylphenyl)-2-(4-phenylbenzene-6-id-1-yl)imidazole;tris(iridium) is CC(C)Cc1cc(-c2ccccc2)cc(CC(C)C)c1-n1ccnc1-c1[c-]cc2oc3ccccc3c2c1.[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1nccn1-c1c(C2CCCC2)cc(-c2ccccc2)cc1C1CCCC1.[c-]1cc2oc3ccccc3c2cc1-c1nccn1-c1c(C2CCCCC2)cc(-c2ccccc2)cc1C1CCCCC1.

What is the InChIKey of 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(3H-dibenzofuran-3-id-2-yl)imidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dicyclohexyl-4-phenylphenyl)imidazole;1-(2,6-dicyclopentyl-4-phenylphenyl)-2-(4-phenylbenzene-6-id-1-yl)imidazole;tris(iridium)?

The InChIKey is AILZSRIRGFTYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H37N2O.C37H35N2.C35H33N2O.3Ir/c1-4-12-27(13-5-1)31-25-33(28-14-6-2-7-15-28)38(34(26-31)29-16-8-3-9-17-29)41-23-22-40-39(41)30-20-21-37-35(24-30)32-18-10-11-19-36(32)42-37;1-3-11-27(12-4-1)29-19-21-32(22-20-29)37-38-23-24-39(37)36-34(30-15-7-8-16-30)25-33(28-13-5-2-6-14-28)26-35(36)31-17-9-10-18-31;1-23(2)18-28-20-27(25-10-6-5-7-11-25)21-29(19-24(3)4)34(28)37-17-16-36-35(37)26-14-15-33-31(22-26)30-12-8-9-13-32(30)38-33;;;/h1,4-5,10-13,18-19,21-26,28-29H,2-3,6-9,14-17H2;1-6,11-14,19-21,23-26,30-31H,7-10,15-18H2;5-13,15-17,20-24H,18-19H2,1-4H3;;;/q3*-1;;;.

What are the key properties of 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(3H-dibenzofuran-3-id-2-yl)imidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dicyclohexyl-4-phenylphenyl)imidazole;1-(2,6-dicyclopentyl-4-phenylphenyl)-2-(4-phenylbenzene-6-id-1-yl)imidazole;tris(iridium)?

1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(3H-dibenzofuran-3-id-2-yl)imidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dicyclohexyl-4-phenylphenyl)imidazole;1-(2,6-dicyclopentyl-4-phenylphenyl)-2-(4-phenylbenzene-6-id-1-yl)imidazole;tris(iridium) has a molecular weight of 2131.75 g/mol, XLogP of 30.29, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(3H-dibenzofuran-3-id-2-yl)imidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dicyclohexyl-4-phenylphenyl)imidazole;1-(2,6-dicyclopentyl-4-phenylphenyl)-2-(4-phenylbenzene-6-id-1-yl)imidazole;tris(iridium) is sourced from PubChem (CID 158336027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).