2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tris(1-(2,6-dimethylphenyl)-2-phenylimidazole);1-(2,6-diphenylphenyl)-2-phenylimidazole;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-[4-methyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide

C208H185Ir5N25O5S-10 — CID 158871870

About 2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tris(1-(2,6-dimethylphenyl)-2-phenylimidazole);1-(2,6-diphenylphenyl)-2-phenylimidazole;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-[4-methyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide

2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tris(1-(2,6-dimethylphenyl)-2-phenylimidazole);1-(2,6-diphenylphenyl)-2-phenylimidazole;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-[4-methyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide (PubChem CID 158871870) has the molecular formula C208H185Ir5N25O5S-10 and a molecular weight of 4108.09 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tris(1-(2,6-dimethylphenyl)-2-phenylimidazole);1-(2,6-diphenylphenyl)-2-phenylimidazole;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-[4-methyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tris(1-(2,6-dimethylphenyl)-2-phenylimidazole);1-(2,6-diphenylphenyl)-2-phenylimidazole;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-[4-methyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide
• PubChem CID: 158871870
• Molecular Formula: C208H185Ir5N25O5S-10
• Molecular Weight: 4108.09 g/mol
• Exact Mass: 4109.29
• IUPAC Name: 2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tris(1-(2,6-dimethylphenyl)-2-phenylimidazole);1-(2,6-diphenylphenyl)-2-phenylimidazole;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-[4-methyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide
• SMILES: CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cc2oc3ccccc3c2c1.Cc1cc(C(C)C)c(-n2ccnc2-c2[c-]cc3oc(C)nc3c2)c(C(C)C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2ocnc2c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1nc2cc(-c3nccn3-c3c(C(C)C)cccc3C(C)C)[c-]cc2o1.Cc1nc2cc(-c3nccn3-c3c(C)cccc3C)[c-]cc2o1.Cc1nc2cc(-c3nccn3-c3c(C)cccc3C)[c-]cc2s1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccn1-c1c(-c2ccccc2)cccc1-c1ccccc1
• InChI: InChI=1S/C27H25N2O.C27H19N2.C24H26N3O.C23H24N3O.C19H16N3O.C19H16N3S.C18H14N3O.3C17H15N2.5Ir/c1-17(2)20-9-7-10-21(18(3)4)26(20)29-15-14-28-27(29)19-12-13-25-23(16-19)22-8-5-6-11-24(22)30-25;1-4-11-21(12-5-1)24-17-10-18-25(22-13-6-2-7-14-22)26(24)29-20-19-28-27(29)23-15-8-3-9-16-23;1-14(2)19-11-16(5)12-20(15(3)4)23(19)27-10-9-25-24(27)18-7-8-22-21(13-18)26-17(6)28-22;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*1-12-5-4-6-13(2)18(12)22-10-9-20-19(22)15-7-8-17-16(11-15)21-14(3)23-17;1-12-4-3-5-13(2)17(12)21-9-8-19-18(21)14-6-7-16-15(10-14)20-11-22-16;3*1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;;;;;/h5-11,13-18H,1-4H3;1-15,17-20H;8-15H,1-6H3;6-8,10-15H,1-5H3;2*4-6,8-11H,1-3H3;3-5,7-11H,1-2H3;3*3-9,11-12H,1-2H3;;;;;/q10*-1
• InChIKey: YGXWAWMJHREIEU-UHFFFAOYSA-N
• XLogP: 51.77
• TPSA: 308.35 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4108.09
LogP ≤ 5	51.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tris(1-(2,6-dimethylphenyl)-2-phenylimidazole);1-(2,6-diphenylphenyl)-2-phenylimidazole;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-[4-methyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide?

The IUPAC name of 2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tris(1-(2,6-dimethylphenyl)-2-phenylimidazole);1-(2,6-diphenylphenyl)-2-phenylimidazole;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-[4-methyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide (CID 158871870) is 2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tris(1-(2,6-dimethylphenyl)-2-phenylimidazole);1-(2,6-diphenylphenyl)-2-phenylimidazole;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-[4-methyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide.

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tris(1-(2,6-dimethylphenyl)-2-phenylimidazole);1-(2,6-diphenylphenyl)-2-phenylimidazole;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-[4-methyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tris(1-(2,6-dimethylphenyl)-2-phenylimidazole);1-(2,6-diphenylphenyl)-2-phenylimidazole;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-[4-methyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide is CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cc2oc3ccccc3c2c1.Cc1cc(C(C)C)c(-n2ccnc2-c2[c-]cc3oc(C)nc3c2)c(C(C)C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2ocnc2c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1nc2cc(-c3nccn3-c3c(C(C)C)cccc3C(C)C)[c-]cc2o1.Cc1nc2cc(-c3nccn3-c3c(C)cccc3C)[c-]cc2o1.Cc1nc2cc(-c3nccn3-c3c(C)cccc3C)[c-]cc2s1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccn1-c1c(-c2ccccc2)cccc1-c1ccccc1.

What is the InChIKey of 2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tris(1-(2,6-dimethylphenyl)-2-phenylimidazole);1-(2,6-diphenylphenyl)-2-phenylimidazole;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-[4-methyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide?

The InChIKey is YGXWAWMJHREIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N2O.C27H19N2.C24H26N3O.C23H24N3O.C19H16N3O.C19H16N3S.C18H14N3O.3C17H15N2.5Ir/c1-17(2)20-9-7-10-21(18(3)4)26(20)29-15-14-28-27(29)19-12-13-25-23(16-19)22-8-5-6-11-24(22)30-25;1-4-11-21(12-5-1)24-17-10-18-25(22-13-6-2-7-14-22)26(24)29-20-19-28-27(29)23-15-8-3-9-16-23;1-14(2)19-11-16(5)12-20(15(3)4)23(19)27-10-9-25-24(27)18-7-8-22-21(13-18)26-17(6)28-22;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*1-12-5-4-6-13(2)18(12)22-10-9-20-19(22)15-7-8-17-16(11-15)21-14(3)23-17;1-12-4-3-5-13(2)17(12)21-9-8-19-18(21)14-6-7-16-15(10-14)20-11-22-16;3*1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;;;;;/h5-11,13-18H,1-4H3;1-15,17-20H;8-15H,1-6H3;6-8,10-15H,1-5H3;2*4-6,8-11H,1-3H3;3-5,7-11H,1-2H3;3*3-9,11-12H,1-2H3;;;;;/q10*-1;;;;;.

What are the key properties of 2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tris(1-(2,6-dimethylphenyl)-2-phenylimidazole);1-(2,6-diphenylphenyl)-2-phenylimidazole;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-[4-methyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide?

2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tris(1-(2,6-dimethylphenyl)-2-phenylimidazole);1-(2,6-diphenylphenyl)-2-phenylimidazole;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-[4-methyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide has a molecular weight of 4108.09 g/mol, XLogP of 51.77, 28 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-6H-1,3-benzoxazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-6H-1,3-benzoxazol-6-ide;tris(1-(2,6-dimethylphenyl)-2-phenylimidazole);1-(2,6-diphenylphenyl)-2-phenylimidazole;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-[4-methyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-6H-1,3-benzoxazol-6-ide is sourced from PubChem (CID 158871870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).