1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tris(iridium);methane;2-(3-phenylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole

C96H95Ir3N6O-3 — CID 157050980

About 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tris(iridium);methane;2-(3-phenylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole

1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tris(iridium);methane;2-(3-phenylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole (PubChem CID 157050980) has the molecular formula C96H95Ir3N6O-3 and a molecular weight of 1925.51 g/mol. Its IUPAC name is 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tris(iridium);methane;2-(3-phenylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole.

Molecular Properties

• Compound Name: 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tris(iridium);methane;2-(3-phenylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
• PubChem CID: 157050980
• Molecular Formula: C96H95Ir3N6O-3
• Molecular Weight: 1925.51 g/mol
• Exact Mass: 1926.65
• IUPAC Name: 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tris(iridium);methane;2-(3-phenylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
• SMILES: C.CC(C)Cc1cc(-c2ccccc2)cc(CC(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cc2oc3ccccc3c2c1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]ccc(-c2ccccc2)c1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C33H29N2O.C33H31N2.C29H31N2.CH4.3Ir/c1-21(2)27-19-25(23-10-6-5-7-11-23)20-28(22(3)4)32(27)35-17-16-34-33(35)24-14-15-31-29(18-24)26-12-8-9-13-30(26)36-31;1-23(2)30-21-29(26-14-9-6-10-15-26)22-31(24(3)4)32(30)35-19-18-34-33(35)28-17-11-16-27(20-28)25-12-7-5-8-13-25;1-21(2)17-26-19-25(23-11-7-5-8-12-23)20-27(18-22(3)4)28(26)31-16-15-30-29(31)24-13-9-6-10-14-24;;;;/h5-13,15-22H,1-4H3;5-16,18-24H,1-4H3;5-13,15-16,19-22H,17-18H2,1-4H3;1H4;;;/q3*-1
• InChIKey: NTYQSFLNMJZFSV-UHFFFAOYSA-N
• XLogP: 26.11
• TPSA: 66.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1925.51
LogP ≤ 5	26.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-phenylimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tris(iridium);methane;2-(3-phenylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole?

The IUPAC name of 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tris(iridium);methane;2-(3-phenylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole (CID 157050980) is 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tris(iridium);methane;2-(3-phenylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole.

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

The canonical SMILES for 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tris(iridium);methane;2-(3-phenylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole is C.CC(C)Cc1cc(-c2ccccc2)cc(CC(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cc2oc3ccccc3c2c1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]ccc(-c2ccccc2)c1.[Ir].[Ir].[Ir].

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

The InChIKey is NTYQSFLNMJZFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N2O.C33H31N2.C29H31N2.CH4.3Ir/c1-21(2)27-19-25(23-10-6-5-7-11-23)20-28(22(3)4)32(27)35-17-16-34-33(35)24-14-15-31-29(18-24)26-12-8-9-13-30(26)36-31;1-23(2)30-21-29(26-14-9-6-10-15-26)22-31(24(3)4)32(30)35-19-18-34-33(35)28-17-11-16-27(20-28)25-12-7-5-8-13-25;1-21(2)17-26-19-25(23-11-7-5-8-12-23)20-27(18-22(3)4)28(26)31-16-15-30-29(31)24-13-9-6-10-14-24;;;;/h5-13,15-22H,1-4H3;5-16,18-24H,1-4H3;5-13,15-16,19-22H,17-18H2,1-4H3;1H4;;;/q3*-1;;;;.

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

1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tris(iridium);methane;2-(3-phenylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole has a molecular weight of 1925.51 g/mol, XLogP of 26.11, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-phenylimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tris(iridium);methane;2-(3-phenylbenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole is sourced from PubChem (CID 157050980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).