2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;hexakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole

C107H89Ir6N13O2S-6 — CID 157198311

About 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;hexakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole

2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;hexakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole (PubChem CID 157198311) has the molecular formula C107H89Ir6N13O2S-6 and a molecular weight of 2774.35 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;hexakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;hexakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
• PubChem CID: 157198311
• Molecular Formula: C107H89Ir6N13O2S-6
• Molecular Weight: 2774.35 g/mol
• Exact Mass: 2777.48
• IUPAC Name: 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;hexakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
• SMILES: COc1cc(C)c(-n2ccnc2-c2[c-]cncc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cc3sc4ccccc4c3c2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2oc3ccccc3c2c1.Cn1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccn1-c1ccccc1
• InChI: InChI=1S/C24H19N2S.C23H17N2O.C18H17N2.C17H16N3O.C15H11N2.C10H9N2.6Ir/c1-15-12-16(2)23(17(3)13-15)26-11-10-25-24(26)18-8-9-22-20(14-18)19-6-4-5-7-21(19)27-22;1-15-6-5-7-16(2)22(15)25-13-12-24-23(25)17-10-11-21-19(14-17)18-8-3-4-9-20(18)26-21;1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;1-12-10-15(21-3)11-13(2)16(12)20-9-8-19-17(20)14-4-6-18-7-5-14;1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;1-12-8-7-11-10(12)9-5-3-2-4-6-9;;;;;;/h4-7,9-14H,1-3H3;3-9,11-14H,1-2H3;4-7,9-12H,1-3H3;4,6-11H,1-3H3;1-7,9-12H;2-5,7-8H,1H3;;;;;;/q6*-1
• InChIKey: ZRCJWBXUUKAFQX-UHFFFAOYSA-N
• XLogP: 25.32
• TPSA: 142.18 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2774.35
LogP ≤ 5	25.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

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-dimethylphenyl)imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;hexakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?

The IUPAC name of 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;hexakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole (CID 157198311) is 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;hexakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole.

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;hexakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;hexakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole is COc1cc(C)c(-n2ccnc2-c2[c-]cncc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cc3sc4ccccc4c3c2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2oc3ccccc3c2c1.Cn1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccn1-c1ccccc1.

What is the InChIKey of 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;hexakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?

The InChIKey is ZRCJWBXUUKAFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N2S.C23H17N2O.C18H17N2.C17H16N3O.C15H11N2.C10H9N2.6Ir/c1-15-12-16(2)23(17(3)13-15)26-11-10-25-24(26)18-8-9-22-20(14-18)19-6-4-5-7-21(19)27-22;1-15-6-5-7-16(2)22(15)25-13-12-24-23(25)17-10-11-21-19(14-17)18-8-3-4-9-20(18)26-21;1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;1-12-10-15(21-3)11-13(2)16(12)20-9-8-19-17(20)14-4-6-18-7-5-14;1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;1-12-8-7-11-10(12)9-5-3-2-4-6-9;;;;;;/h4-7,9-14H,1-3H3;3-9,11-14H,1-2H3;4-7,9-12H,1-3H3;4,6-11H,1-3H3;1-7,9-12H;2-5,7-8H,1H3;;;;;;/q6*-1;;;;;;.

What are the key properties of 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;hexakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?

2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;hexakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole has a molecular weight of 2774.35 g/mol, XLogP of 25.32, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;hexakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole is sourced from PubChem (CID 157198311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).