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);2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole

C122H121F3Ir4N8-4 — CID 157312340

IUPAC1-[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);2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole
SMILESCC(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]
InChIInChI=1S/C33H34FN2.C33H31N2.C29H30FN2.C27H26FN2.4Ir/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;;;;/q4*-1;;;;
InChIKeySKIDJOVGBDTWLL-UHFFFAOYSA-N
MW2525.23 g/mol
LogP33.09
Rot. Bonds23

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);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);2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole (PubChem CID 157312340) has the molecular formula C122H121F3Ir4N8-4 and a molecular weight of 2525.23 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);2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole.

Molecular Properties

Compound Name1-[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);2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole
PubChem CID157312340
Molecular FormulaC122H121F3Ir4N8-4
Molecular Weight2525.23 g/mol
Exact Mass2526.82
IUPAC Name1-[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);2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole
SMILESCC(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]
InChIInChI=1S/C33H34FN2.C33H31N2.C29H30FN2.C27H26FN2.4Ir/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;;;;/q4*-1;;;;
InChIKeySKIDJOVGBDTWLL-UHFFFAOYSA-N
XLogP33.09
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms137
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002525.23
LogP ≤ 533.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 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);2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole with MolForge

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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);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);2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole (CID 157312340) 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);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);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);2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole is 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);2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole?
The InChIKey is SKIDJOVGBDTWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34FN2.C33H31N2.C29H30FN2.C27H26FN2.4Ir/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;;;;/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);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);2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole has a molecular weight of 2525.23 g/mol, XLogP of 33.09, 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);2-phenyl-1-[4-(3-phenylphenyl)-2,6-di(propan-2-yl)phenyl]imidazole is sourced from PubChem (CID 157312340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).