1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dicyclohexyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tetrakis(iridium);methane;2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole

C126H137F3Ir4N8-4 — CID 157303526

About 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dicyclohexyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tetrakis(iridium);methane;2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole

1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dicyclohexyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tetrakis(iridium);methane;2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole (PubChem CID 157303526) has the molecular formula C126H137F3Ir4N8-4 and a molecular weight of 2589.40 g/mol. Its IUPAC name is 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dicyclohexyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tetrakis(iridium);methane;2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole.

Molecular Properties

• Compound Name: 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dicyclohexyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tetrakis(iridium);methane;2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole
• PubChem CID: 157303526
• Molecular Formula: C126H137F3Ir4N8-4
• Molecular Weight: 2589.40 g/mol
• Exact Mass: 2590.95
• IUPAC Name: 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dicyclohexyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tetrakis(iridium);methane;2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole
• SMILES: C.C.C.C.CC(C)Cc1cc(-c2ccccc2)cc(CC(C)C)c1-n1ccnc1-c1[c-]cc(F)cc1.CC(C)c1cc(-c2cccc(-c3ccccc3)c2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cc(F)cc1.Fc1c[c-]c(-c2nccn2-c2c(C3CCCCC3)cc(-c3ccccc3)cc2C2CCCCC2)cc1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C33H34FN2.C33H31N2.C29H30FN2.C27H26FN2.4CH4.4Ir/c34-29-18-16-27(17-19-29)33-35-20-21-36(33)32-30(25-12-6-2-7-13-25)22-28(24-10-4-1-5-11-24)23-31(32)26-14-8-3-9-15-26;1-23(2)30-21-29(28-17-11-16-27(20-28)25-12-7-5-8-13-25)22-31(24(3)4)32(30)35-19-18-34-33(35)26-14-9-6-10-15-26;1-20(2)16-25-18-24(22-8-6-5-7-9-22)19-26(17-21(3)4)28(25)32-15-14-31-29(32)23-10-12-27(30)13-11-23;1-18(2)24-16-22(20-8-6-5-7-9-20)17-25(19(3)4)26(24)30-15-14-29-27(30)21-10-12-23(28)13-11-21;;;;;;;;/h1,4-5,10-11,16,18-23,25-26H,2-3,6-9,12-15H2;5-14,16-24H,1-4H3;5-10,12-15,18-21H,16-17H2,1-4H3;5-10,12-19H,1-4H3;4*1H4;;;;/q4*-1
• InChIKey: SCXKGYNJABRJNN-UHFFFAOYSA-N
• XLogP: 35.63
• TPSA: 71.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 23
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2589.40
LogP ≤ 5	35.63
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-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dicyclohexyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tetrakis(iridium);methane;2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole?

The IUPAC name of 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dicyclohexyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tetrakis(iridium);methane;2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole (CID 157303526) is 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dicyclohexyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tetrakis(iridium);methane;2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole.

What is the SMILES notation for 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dicyclohexyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tetrakis(iridium);methane;2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole?

The canonical SMILES for 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dicyclohexyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tetrakis(iridium);methane;2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole is C.C.C.C.CC(C)Cc1cc(-c2ccccc2)cc(CC(C)C)c1-n1ccnc1-c1[c-]cc(F)cc1.CC(C)c1cc(-c2cccc(-c3ccccc3)c2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1[c-]cc(F)cc1.Fc1c[c-]c(-c2nccn2-c2c(C3CCCCC3)cc(-c3ccccc3)cc2C2CCCCC2)cc1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dicyclohexyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tetrakis(iridium);methane;2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole?

The InChIKey is SCXKGYNJABRJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34FN2.C33H31N2.C29H30FN2.C27H26FN2.4CH4.4Ir/c34-29-18-16-27(17-19-29)33-35-20-21-36(33)32-30(25-12-6-2-7-13-25)22-28(24-10-4-1-5-11-24)23-31(32)26-14-8-3-9-15-26;1-23(2)30-21-29(28-17-11-16-27(20-28)25-12-7-5-8-13-25)22-31(24(3)4)32(30)35-19-18-34-33(35)26-14-9-6-10-15-26;1-20(2)16-25-18-24(22-8-6-5-7-9-22)19-26(17-21(3)4)28(25)32-15-14-31-29(32)23-10-12-27(30)13-11-23;1-18(2)24-16-22(20-8-6-5-7-9-20)17-25(19(3)4)26(24)30-15-14-29-27(30)21-10-12-23(28)13-11-21;;;;;;;;/h1,4-5,10-11,16,18-23,25-26H,2-3,6-9,12-15H2;5-14,16-24H,1-4H3;5-10,12-15,18-21H,16-17H2,1-4H3;5-10,12-19H,1-4H3;4*1H4;;;;/q4*-1;;;;;;;;.

What are the key properties of 1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dicyclohexyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tetrakis(iridium);methane;2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole?

1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dicyclohexyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tetrakis(iridium);methane;2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole has a molecular weight of 2589.40 g/mol, XLogP of 35.63, 23 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-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dicyclohexyl-4-phenylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;tetrakis(iridium);methane;2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole is sourced from PubChem (CID 157303526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).