2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;1-O-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;tris(iridium);1-methyl-2-phenylimidazole;1-phenylpyrazole

C97H93Ir3N12O7-5 — CID 157176040

About 2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;1-O-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;tris(iridium);1-methyl-2-phenylimidazole;1-phenylpyrazole

2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;1-O-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;tris(iridium);1-methyl-2-phenylimidazole;1-phenylpyrazole (PubChem CID 157176040) has the molecular formula C97H93Ir3N12O7-5 and a molecular weight of 2115.54 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;1-O-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;tris(iridium);1-methyl-2-phenylimidazole;1-phenylpyrazole.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;1-O-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;tris(iridium);1-methyl-2-phenylimidazole;1-phenylpyrazole
• PubChem CID: 157176040
• Molecular Formula: C97H93Ir3N12O7-5
• Molecular Weight: 2115.54 g/mol
• Exact Mass: 2116.62
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;1-O-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;tris(iridium);1-methyl-2-phenylimidazole;1-phenylpyrazole
• SMILES: COC(=O)C(C)(C)CC(C)(CCC(C)C#N)C(=O)OCCOc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(-n2cc(-c3c(C)cccc3C)nc2-c2[c-]con2)c(C)c1.Cc1ccccc1-n1ccnc1-c1[c-]ccc2c1oc1ccccc12.Cn1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[c-]1ccccc1-n1cccn1
• InChI: InChI=1S/C33H40N3O5.C23H22N3O.C22H15N2O.C10H9N2.C9H7N2.3Ir/c1-23(21-34)13-14-33(6,22-32(4,5)30(37)39-7)31(38)41-18-17-40-27-19-24(2)28(25(3)20-27)36-16-15-35-29(36)26-11-9-8-10-12-26;1-14-11-17(4)22(18(5)12-14)26-13-20(21-15(2)7-6-8-16(21)3)24-23(26)19-9-10-27-25-19;1-15-7-2-4-11-19(15)24-14-13-23-22(24)18-10-6-9-17-16-8-3-5-12-20(16)25-21(17)18;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-2-5-9(6-3-1)11-8-4-7-10-11;;;/h8-11,15-16,19-20,23H,13-14,17-18,22H2,1-7H3;6-8,10-13H,1-5H3;2-9,11-14H,1H3;2-5,7-8H,1H3;1-5,7-8H;;;/q5*-1
• InChIKey: XVPRIWUDQIPZJJ-UHFFFAOYSA-N
• XLogP: 21.05
• TPSA: 213.89 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2115.54
LogP ≤ 5	21.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;1-O-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;tris(iridium);1-methyl-2-phenylimidazole;1-phenylpyrazole?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;1-O-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;tris(iridium);1-methyl-2-phenylimidazole;1-phenylpyrazole (CID 157176040) is 2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;1-O-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;tris(iridium);1-methyl-2-phenylimidazole;1-phenylpyrazole.

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;1-O-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;tris(iridium);1-methyl-2-phenylimidazole;1-phenylpyrazole?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;1-O-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;tris(iridium);1-methyl-2-phenylimidazole;1-phenylpyrazole is COC(=O)C(C)(C)CC(C)(CCC(C)C#N)C(=O)OCCOc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(-n2cc(-c3c(C)cccc3C)nc2-c2[c-]con2)c(C)c1.Cc1ccccc1-n1ccnc1-c1[c-]ccc2c1oc1ccccc12.Cn1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[c-]1ccccc1-n1cccn1.

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;1-O-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;tris(iridium);1-methyl-2-phenylimidazole;1-phenylpyrazole?

The InChIKey is XVPRIWUDQIPZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N3O5.C23H22N3O.C22H15N2O.C10H9N2.C9H7N2.3Ir/c1-23(21-34)13-14-33(6,22-32(4,5)30(37)39-7)31(38)41-18-17-40-27-19-24(2)28(25(3)20-27)36-16-15-35-29(36)26-11-9-8-10-12-26;1-14-11-17(4)22(18(5)12-14)26-13-20(21-15(2)7-6-8-16(21)3)24-23(26)19-9-10-27-25-19;1-15-7-2-4-11-19(15)24-14-13-23-22(24)18-10-6-9-17-16-8-3-5-12-20(16)25-21(17)18;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-2-5-9(6-3-1)11-8-4-7-10-11;;;/h8-11,15-16,19-20,23H,13-14,17-18,22H2,1-7H3;6-8,10-13H,1-5H3;2-9,11-14H,1H3;2-5,7-8H,1H3;1-5,7-8H;;;/q5*-1;;;.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;1-O-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;tris(iridium);1-methyl-2-phenylimidazole;1-phenylpyrazole?

2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;1-O-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;tris(iridium);1-methyl-2-phenylimidazole;1-phenylpyrazole has a molecular weight of 2115.54 g/mol, XLogP of 21.05, 20 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;1-O-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenoxy]ethyl] 5-O-methyl 2-(3-cyanobutyl)-2,4,4-trimethylpentanedioate;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;tris(iridium);1-methyl-2-phenylimidazole;1-phenylpyrazole is sourced from PubChem (CID 157176040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).