3-(3,6-dihydro-2H-1-benzofuran-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;3-(3,6-dihydro-2H-1-benzothiophen-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;pentakis(iridium);4-(2-methyl-6H-1-benzothiophen-6-id-7-yl)-5-(4-methylphenyl)-1-phenylimidazole;4-(2-methyl-3,3-diphenyl-2,6-dihydro-1,3-benzothiasilol-6-id-7-yl)-1,5-diphenylimidazole;2-methyl-7-[3-methyl-5-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]-4-(2,4,6-trimethylphenyl)-6H-1,3-benzothiazol-6-ide

C132H121Ir5N11OS4Si-8 — CID 159212477

About 3-(3,6-dihydro-2H-1-benzofuran-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;3-(3,6-dihydro-2H-1-benzothiophen-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;pentakis(iridium);4-(2-methyl-6H-1-benzothiophen-6-id-7-yl)-5-(4-methylphenyl)-1-phenylimidazole;4-(2-methyl-3,3-diphenyl-2,6-dihydro-1,3-benzothiasilol-6-id-7-yl)-1,5-diphenylimidazole;2-methyl-7-[3-methyl-5-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]-4-(2,4,6-trimethylphenyl)-6H-1,3-benzothiazol-6-ide

3-(3,6-dihydro-2H-1-benzofuran-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;3-(3,6-dihydro-2H-1-benzothiophen-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;pentakis(iridium);4-(2-methyl-6H-1-benzothiophen-6-id-7-yl)-5-(4-methylphenyl)-1-phenylimidazole;4-(2-methyl-3,3-diphenyl-2,6-dihydro-1,3-benzothiasilol-6-id-7-yl)-1,5-diphenylimidazole;2-methyl-7-[3-methyl-5-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]-4-(2,4,6-trimethylphenyl)-6H-1,3-benzothiazol-6-ide (PubChem CID 159212477) has the molecular formula C132H121Ir5N11OS4Si-8 and a molecular weight of 2994.93 g/mol. Its IUPAC name is 3-(3,6-dihydro-2H-1-benzofuran-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;3-(3,6-dihydro-2H-1-benzothiophen-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;pentakis(iridium);4-(2-methyl-6H-1-benzothiophen-6-id-7-yl)-5-(4-methylphenyl)-1-phenylimidazole;4-(2-methyl-3,3-diphenyl-2,6-dihydro-1,3-benzothiasilol-6-id-7-yl)-1,5-diphenylimidazole;2-methyl-7-[3-methyl-5-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]-4-(2,4,6-trimethylphenyl)-6H-1,3-benzothiazol-6-ide.

Molecular Properties

• Compound Name: 3-(3,6-dihydro-2H-1-benzofuran-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;3-(3,6-dihydro-2H-1-benzothiophen-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;pentakis(iridium);4-(2-methyl-6H-1-benzothiophen-6-id-7-yl)-5-(4-methylphenyl)-1-phenylimidazole;4-(2-methyl-3,3-diphenyl-2,6-dihydro-1,3-benzothiasilol-6-id-7-yl)-1,5-diphenylimidazole;2-methyl-7-[3-methyl-5-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]-4-(2,4,6-trimethylphenyl)-6H-1,3-benzothiazol-6-ide
• PubChem CID: 159212477
• Molecular Formula: C132H121Ir5N11OS4Si-8
• Molecular Weight: 2994.93 g/mol
• Exact Mass: 2996.66
• IUPAC Name: 3-(3,6-dihydro-2H-1-benzofuran-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;3-(3,6-dihydro-2H-1-benzothiophen-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;pentakis(iridium);4-(2-methyl-6H-1-benzothiophen-6-id-7-yl)-5-(4-methylphenyl)-1-phenylimidazole;4-(2-methyl-3,3-diphenyl-2,6-dihydro-1,3-benzothiasilol-6-id-7-yl)-1,5-diphenylimidazole;2-methyl-7-[3-methyl-5-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]-4-(2,4,6-trimethylphenyl)-6H-1,3-benzothiazol-6-ide
• SMILES: CC1Sc2c(-c3ncn(-c4ccccc4)c3-c3ccccc3)[c-]ccc2[Si]1(c1ccccc1)c1ccccc1.Cc1cc(C)c(C2=CN(C)[CH-]N2c2[c-]cc(-c3c(C)cc(C)cc3C)c3nc(C)sc23)c(C)c1.Cc1cc(C)c(C2=CN(C)[CH-]N2c2[c-]ccc3c2OCC3)c(C)c1.Cc1cc(C)c(C2=CN(C)[CH-]N2c2[c-]ccc3c2SCC3)c(C)c1.Cc1ccc(-c2c(-c3[c-]ccc4cc(C)sc34)ncn2-c2ccccc2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C35H27N2SSi.C30H31N3S.C25H19N2S.C21H22N2O.C21H22N2S.5Ir/c1-26-38-35-31(33-34(27-15-6-2-7-16-27)37(25-36-33)28-17-8-3-9-18-28)23-14-24-32(35)39(26,29-19-10-4-11-20-29)30-21-12-5-13-22-30;1-17-11-19(3)27(20(4)12-17)24-9-10-25(30-29(24)31-23(7)34-30)33-16-32(8)15-26(33)28-21(5)13-18(2)14-22(28)6;1-17-11-13-19(14-12-17)24-23(26-16-27(24)21-8-4-3-5-9-21)22-10-6-7-20-15-18(2)28-25(20)22;2*1-14-10-15(2)20(16(3)11-14)19-12-22(4)13-23(19)18-7-5-6-17-8-9-24-21(17)18;;;;;/h2-22,24-26H,1H3;9,11-16H,1-8H3;3-9,11-16H,1-2H3;2*5-6,10-13H,8-9H2,1-4H3;;;;;/q-1;-2;-1;2*-2
• InChIKey: BFBKXHSYOJVVHR-UHFFFAOYSA-N
• XLogP: 30.27
• TPSA: 77.20 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2994.93
LogP ≤ 5	30.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dihydro-2H-1-benzofuran-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;3-(3,6-dihydro-2H-1-benzothiophen-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;pentakis(iridium);4-(2-methyl-6H-1-benzothiophen-6-id-7-yl)-5-(4-methylphenyl)-1-phenylimidazole;4-(2-methyl-3,3-diphenyl-2,6-dihydro-1,3-benzothiasilol-6-id-7-yl)-1,5-diphenylimidazole;2-methyl-7-[3-methyl-5-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]-4-(2,4,6-trimethylphenyl)-6H-1,3-benzothiazol-6-ide?

The IUPAC name of 3-(3,6-dihydro-2H-1-benzofuran-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;3-(3,6-dihydro-2H-1-benzothiophen-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;pentakis(iridium);4-(2-methyl-6H-1-benzothiophen-6-id-7-yl)-5-(4-methylphenyl)-1-phenylimidazole;4-(2-methyl-3,3-diphenyl-2,6-dihydro-1,3-benzothiasilol-6-id-7-yl)-1,5-diphenylimidazole;2-methyl-7-[3-methyl-5-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]-4-(2,4,6-trimethylphenyl)-6H-1,3-benzothiazol-6-ide (CID 159212477) is 3-(3,6-dihydro-2H-1-benzofuran-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;3-(3,6-dihydro-2H-1-benzothiophen-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;pentakis(iridium);4-(2-methyl-6H-1-benzothiophen-6-id-7-yl)-5-(4-methylphenyl)-1-phenylimidazole;4-(2-methyl-3,3-diphenyl-2,6-dihydro-1,3-benzothiasilol-6-id-7-yl)-1,5-diphenylimidazole;2-methyl-7-[3-methyl-5-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]-4-(2,4,6-trimethylphenyl)-6H-1,3-benzothiazol-6-ide.

What is the SMILES notation for 3-(3,6-dihydro-2H-1-benzofuran-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;3-(3,6-dihydro-2H-1-benzothiophen-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;pentakis(iridium);4-(2-methyl-6H-1-benzothiophen-6-id-7-yl)-5-(4-methylphenyl)-1-phenylimidazole;4-(2-methyl-3,3-diphenyl-2,6-dihydro-1,3-benzothiasilol-6-id-7-yl)-1,5-diphenylimidazole;2-methyl-7-[3-methyl-5-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]-4-(2,4,6-trimethylphenyl)-6H-1,3-benzothiazol-6-ide?

The canonical SMILES for 3-(3,6-dihydro-2H-1-benzofuran-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;3-(3,6-dihydro-2H-1-benzothiophen-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;pentakis(iridium);4-(2-methyl-6H-1-benzothiophen-6-id-7-yl)-5-(4-methylphenyl)-1-phenylimidazole;4-(2-methyl-3,3-diphenyl-2,6-dihydro-1,3-benzothiasilol-6-id-7-yl)-1,5-diphenylimidazole;2-methyl-7-[3-methyl-5-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]-4-(2,4,6-trimethylphenyl)-6H-1,3-benzothiazol-6-ide is CC1Sc2c(-c3ncn(-c4ccccc4)c3-c3ccccc3)[c-]ccc2[Si]1(c1ccccc1)c1ccccc1.Cc1cc(C)c(C2=CN(C)[CH-]N2c2[c-]cc(-c3c(C)cc(C)cc3C)c3nc(C)sc23)c(C)c1.Cc1cc(C)c(C2=CN(C)[CH-]N2c2[c-]ccc3c2OCC3)c(C)c1.Cc1cc(C)c(C2=CN(C)[CH-]N2c2[c-]ccc3c2SCC3)c(C)c1.Cc1ccc(-c2c(-c3[c-]ccc4cc(C)sc34)ncn2-c2ccccc2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 3-(3,6-dihydro-2H-1-benzofuran-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;3-(3,6-dihydro-2H-1-benzothiophen-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;pentakis(iridium);4-(2-methyl-6H-1-benzothiophen-6-id-7-yl)-5-(4-methylphenyl)-1-phenylimidazole;4-(2-methyl-3,3-diphenyl-2,6-dihydro-1,3-benzothiasilol-6-id-7-yl)-1,5-diphenylimidazole;2-methyl-7-[3-methyl-5-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]-4-(2,4,6-trimethylphenyl)-6H-1,3-benzothiazol-6-ide?

The InChIKey is BFBKXHSYOJVVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N2SSi.C30H31N3S.C25H19N2S.C21H22N2O.C21H22N2S.5Ir/c1-26-38-35-31(33-34(27-15-6-2-7-16-27)37(25-36-33)28-17-8-3-9-18-28)23-14-24-32(35)39(26,29-19-10-4-11-20-29)30-21-12-5-13-22-30;1-17-11-19(3)27(20(4)12-17)24-9-10-25(30-29(24)31-23(7)34-30)33-16-32(8)15-26(33)28-21(5)13-18(2)14-22(28)6;1-17-11-13-19(14-12-17)24-23(26-16-27(24)21-8-4-3-5-9-21)22-10-6-7-20-15-18(2)28-25(20)22;2*1-14-10-15(2)20(16(3)11-14)19-12-22(4)13-23(19)18-7-5-6-17-8-9-24-21(17)18;;;;;/h2-22,24-26H,1H3;9,11-16H,1-8H3;3-9,11-16H,1-2H3;2*5-6,10-13H,8-9H2,1-4H3;;;;;/q-1;-2;-1;2*-2;;;;;.

What are the key properties of 3-(3,6-dihydro-2H-1-benzofuran-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;3-(3,6-dihydro-2H-1-benzothiophen-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;pentakis(iridium);4-(2-methyl-6H-1-benzothiophen-6-id-7-yl)-5-(4-methylphenyl)-1-phenylimidazole;4-(2-methyl-3,3-diphenyl-2,6-dihydro-1,3-benzothiasilol-6-id-7-yl)-1,5-diphenylimidazole;2-methyl-7-[3-methyl-5-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]-4-(2,4,6-trimethylphenyl)-6H-1,3-benzothiazol-6-ide?

3-(3,6-dihydro-2H-1-benzofuran-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;3-(3,6-dihydro-2H-1-benzothiophen-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;pentakis(iridium);4-(2-methyl-6H-1-benzothiophen-6-id-7-yl)-5-(4-methylphenyl)-1-phenylimidazole;4-(2-methyl-3,3-diphenyl-2,6-dihydro-1,3-benzothiasilol-6-id-7-yl)-1,5-diphenylimidazole;2-methyl-7-[3-methyl-5-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]-4-(2,4,6-trimethylphenyl)-6H-1,3-benzothiazol-6-ide has a molecular weight of 2994.93 g/mol, XLogP of 30.27, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,6-dihydro-2H-1-benzofuran-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;3-(3,6-dihydro-2H-1-benzothiophen-6-id-7-yl)-1-methyl-4-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;pentakis(iridium);4-(2-methyl-6H-1-benzothiophen-6-id-7-yl)-5-(4-methylphenyl)-1-phenylimidazole;4-(2-methyl-3,3-diphenyl-2,6-dihydro-1,3-benzothiasilol-6-id-7-yl)-1,5-diphenylimidazole;2-methyl-7-[3-methyl-5-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]-4-(2,4,6-trimethylphenyl)-6H-1,3-benzothiazol-6-ide is sourced from PubChem (CID 159212477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).