1-(2,6-dimethylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-4-ide-1-carbonitrile);tris(5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);pentakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide

C224H201FIr5N28O5-10 — CID 157467686

About 1-(2,6-dimethylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-4-ide-1-carbonitrile);tris(5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);pentakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide

1-(2,6-dimethylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-4-ide-1-carbonitrile);tris(5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);pentakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide (PubChem CID 157467686) has the molecular formula C224H201FIr5N28O5-10 and a molecular weight of 4345.35 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-4-ide-1-carbonitrile);tris(5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);pentakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide.

Molecular Properties

• Compound Name: 1-(2,6-dimethylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-4-ide-1-carbonitrile);tris(5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);pentakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide
• PubChem CID: 157467686
• Molecular Formula: C224H201FIr5N28O5-10
• Molecular Weight: 4345.35 g/mol
• Exact Mass: 4346.45
• IUPAC Name: 1-(2,6-dimethylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-4-ide-1-carbonitrile);tris(5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);pentakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide
• SMILES: CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]ccc(C#N)c1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]ccc(C#N)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cc3oc(C)nc3c2)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc(F)cc1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1nc2cc(-c3nccn3-c3c(-c4ccccc4)cccc3-c3ccccc3)[c-]cc2o1.Cc1nc2cc(-c3nccn3-c3c(C(C)C)cccc3C(C)C)[c-]cc2o1.Cc1nc2cc(-c3nccn3-c3c(C(C)C)cccc3C(C)C)[c-]cc2o1.Cc1nc2cc(-c3nccn3-c3c(C(C)C)cccc3C(C)C)[c-]cc2o1.N#Cc1cc[c-]c(-c2nccn2-c2c(-c3ccccc3)cccc2-c2ccccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C29H20N3O.C28H18N3.3C23H24N3O.2C22H22N3.C20H18N3O.C17H14FN2.C17H15N2.5Ir/c1-20-31-26-19-23(15-16-27(26)33-20)29-30-17-18-32(29)28-24(21-9-4-2-5-10-21)13-8-14-25(28)22-11-6-3-7-12-22;29-20-21-9-7-14-24(19-21)28-30-17-18-31(28)27-25(22-10-3-1-4-11-22)15-8-16-26(27)23-12-5-2-6-13-23;3*1-14(2)18-7-6-8-19(15(3)4)22(18)26-12-11-24-23(26)17-9-10-21-20(13-17)25-16(5)27-21;2*1-15(2)19-9-6-10-20(16(3)4)21(19)25-12-11-24-22(25)18-8-5-7-17(13-18)14-23;1-12-9-13(2)19(14(3)10-12)23-8-7-21-20(23)16-5-6-18-17(11-16)22-15(4)24-18;1-12-4-3-5-13(2)16(12)20-11-10-19-17(20)14-6-8-15(18)9-7-14;1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;;;;;/h2-14,16-19H,1H3;1-13,15-19H;3*6-8,10-15H,1-5H3;2*5-7,9-13,15-16H,1-4H3;6-11H,1-4H3;3-6,8-11H,1-2H3;3-9,11-12H,1-2H3;;;;;/q10*-1
• InChIKey: SKJGQDCSTBLRCD-UHFFFAOYSA-N
• XLogP: 55.45
• TPSA: 379.72 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 34
• Heavy Atoms: 263
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4345.35
LogP ≤ 5	55.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

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-dimethylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-4-ide-1-carbonitrile);tris(5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);pentakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide?

The IUPAC name of 1-(2,6-dimethylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-4-ide-1-carbonitrile);tris(5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);pentakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide (CID 157467686) is 1-(2,6-dimethylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-4-ide-1-carbonitrile);tris(5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);pentakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide.

What is the SMILES notation for 1-(2,6-dimethylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-4-ide-1-carbonitrile);tris(5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);pentakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide?

The canonical SMILES for 1-(2,6-dimethylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-4-ide-1-carbonitrile);tris(5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);pentakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide is CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]ccc(C#N)c1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]ccc(C#N)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cc3oc(C)nc3c2)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc(F)cc1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1nc2cc(-c3nccn3-c3c(-c4ccccc4)cccc3-c3ccccc3)[c-]cc2o1.Cc1nc2cc(-c3nccn3-c3c(C(C)C)cccc3C(C)C)[c-]cc2o1.Cc1nc2cc(-c3nccn3-c3c(C(C)C)cccc3C(C)C)[c-]cc2o1.Cc1nc2cc(-c3nccn3-c3c(C(C)C)cccc3C(C)C)[c-]cc2o1.N#Cc1cc[c-]c(-c2nccn2-c2c(-c3ccccc3)cccc2-c2ccccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 1-(2,6-dimethylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-4-ide-1-carbonitrile);tris(5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);pentakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide?

The InChIKey is SKJGQDCSTBLRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N3O.C28H18N3.3C23H24N3O.2C22H22N3.C20H18N3O.C17H14FN2.C17H15N2.5Ir/c1-20-31-26-19-23(15-16-27(26)33-20)29-30-17-18-32(29)28-24(21-9-4-2-5-10-21)13-8-14-25(28)22-11-6-3-7-12-22;29-20-21-9-7-14-24(19-21)28-30-17-18-31(28)27-25(22-10-3-1-4-11-22)15-8-16-26(27)23-12-5-2-6-13-23;3*1-14(2)18-7-6-8-19(15(3)4)22(18)26-12-11-24-23(26)17-9-10-21-20(13-17)25-16(5)27-21;2*1-15(2)19-9-6-10-20(16(3)4)21(19)25-12-11-24-22(25)18-8-5-7-17(13-18)14-23;1-12-9-13(2)19(14(3)10-12)23-8-7-21-20(23)16-5-6-18-17(11-16)22-15(4)24-18;1-12-4-3-5-13(2)16(12)20-11-10-19-17(20)14-6-8-15(18)9-7-14;1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;;;;;/h2-14,16-19H,1H3;1-13,15-19H;3*6-8,10-15H,1-5H3;2*5-7,9-13,15-16H,1-4H3;6-11H,1-4H3;3-6,8-11H,1-2H3;3-9,11-12H,1-2H3;;;;;/q10*-1;;;;;.

What are the key properties of 1-(2,6-dimethylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-4-ide-1-carbonitrile);tris(5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);pentakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide?

1-(2,6-dimethylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-4-ide-1-carbonitrile);tris(5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);pentakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide has a molecular weight of 4345.35 g/mol, XLogP of 55.45, 34 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-dimethylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-4-ide-1-carbonitrile;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;bis(3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-4-ide-1-carbonitrile);tris(5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide);pentakis(iridium);2-methyl-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide is sourced from PubChem (CID 157467686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).