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]-1,2,4-oxadiazole;tetrakis(iridium);1-O-methyl 5-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 2,2,4-trimethyl-4-(3-phenylbutyl)pentanedioate;1-methyl-2-phenylimidazole;1-phenylpyrazole

C133H136Ir4N15O12-5 — CID 157430159

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]-1,2,4-oxadiazole;tetrakis(iridium);1-O-methyl 5-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 2,2,4-trimethyl-4-(3-phenylbutyl)pentanedioate;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]-1,2,4-oxadiazole;tetrakis(iridium);1-O-methyl 5-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 2,2,4-trimethyl-4-(3-phenylbutyl)pentanedioate;1-methyl-2-phenylimidazole;1-phenylpyrazole (PubChem CID 157430159) has the molecular formula C133H136Ir4N15O12-5 and a molecular weight of 2905.51 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]-1,2,4-oxadiazole;tetrakis(iridium);1-O-methyl 5-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 2,2,4-trimethyl-4-(3-phenylbutyl)pentanedioate;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]-1,2,4-oxadiazole;tetrakis(iridium);1-O-methyl 5-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 2,2,4-trimethyl-4-(3-phenylbutyl)pentanedioate;1-methyl-2-phenylimidazole;1-phenylpyrazole
• PubChem CID: 157430159
• Molecular Formula: C133H136Ir4N15O12-5
• Molecular Weight: 2905.51 g/mol
• Exact Mass: 2906.90
• 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]-1,2,4-oxadiazole;tetrakis(iridium);1-O-methyl 5-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 2,2,4-trimethyl-4-(3-phenylbutyl)pentanedioate;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.COC(=O)C(C)(C)CC(C)(CCC(C)c1ccccc1)C(=O)OCCOc1c[c-]c(-c2nccn2-c2ccccc2C)cc1.Cc1cc(C)c(-n2cc(-c3c(C)cccc3C)nc2-c2ncon2)c(C)c1.Cc1ccccc1-n1ccnc1-c1[c-]ccc2c1oc1ccccc12.Cn1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-n1cccn1
• InChI: InChI=1S/C37H43N2O5.C33H40N3O5.C22H22N4O.C22H15N2O.C10H9N2.C9H7N2.4Ir/c1-27(29-13-8-7-9-14-29)20-21-37(5,26-36(3,4)34(40)42-6)35(41)44-25-24-43-31-18-16-30(17-19-31)33-38-22-23-39(33)32-15-11-10-12-28(32)2;1-23(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;1-13-9-16(4)20(17(5)10-13)26-11-18(19-14(2)7-6-8-15(19)3)24-22(26)21-23-12-27-25-21;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;;;;/h7-16,18-19,22-23,27H,20-21,24-26H2,1-6H3;8-11,15-16,19-20,23H,13-14,17-18,22H2,1-7H3;6-12H,1-5H3;2-9,11-14H,1H3;2-5,7-8H,1H3;1-5,7-8H;;;;/q2*-1;;3*-1
• InChIKey: ZDZWZRUAYLJXKU-UHFFFAOYSA-N
• XLogP: 28.39
• TPSA: 306.43 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 34
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2905.51
LogP ≤ 5	28.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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]-1,2,4-oxadiazole;tetrakis(iridium);1-O-methyl 5-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 2,2,4-trimethyl-4-(3-phenylbutyl)pentanedioate;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]-1,2,4-oxadiazole;tetrakis(iridium);1-O-methyl 5-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 2,2,4-trimethyl-4-(3-phenylbutyl)pentanedioate;1-methyl-2-phenylimidazole;1-phenylpyrazole (CID 157430159) 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]-1,2,4-oxadiazole;tetrakis(iridium);1-O-methyl 5-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 2,2,4-trimethyl-4-(3-phenylbutyl)pentanedioate;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]-1,2,4-oxadiazole;tetrakis(iridium);1-O-methyl 5-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 2,2,4-trimethyl-4-(3-phenylbutyl)pentanedioate;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]-1,2,4-oxadiazole;tetrakis(iridium);1-O-methyl 5-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 2,2,4-trimethyl-4-(3-phenylbutyl)pentanedioate;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.COC(=O)C(C)(C)CC(C)(CCC(C)c1ccccc1)C(=O)OCCOc1c[c-]c(-c2nccn2-c2ccccc2C)cc1.Cc1cc(C)c(-n2cc(-c3c(C)cccc3C)nc2-c2ncon2)c(C)c1.Cc1ccccc1-n1ccnc1-c1[c-]ccc2c1oc1ccccc12.Cn1ccnc1-c1[c-]cccc1.[Ir].[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]-1,2,4-oxadiazole;tetrakis(iridium);1-O-methyl 5-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 2,2,4-trimethyl-4-(3-phenylbutyl)pentanedioate;1-methyl-2-phenylimidazole;1-phenylpyrazole?

The InChIKey is ZDZWZRUAYLJXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H43N2O5.C33H40N3O5.C22H22N4O.C22H15N2O.C10H9N2.C9H7N2.4Ir/c1-27(29-13-8-7-9-14-29)20-21-37(5,26-36(3,4)34(40)42-6)35(41)44-25-24-43-31-18-16-30(17-19-31)33-38-22-23-39(33)32-15-11-10-12-28(32)2;1-23(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;1-13-9-16(4)20(17(5)10-13)26-11-18(19-14(2)7-6-8-15(19)3)24-22(26)21-23-12-27-25-21;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;;;;/h7-16,18-19,22-23,27H,20-21,24-26H2,1-6H3;8-11,15-16,19-20,23H,13-14,17-18,22H2,1-7H3;6-12H,1-5H3;2-9,11-14H,1H3;2-5,7-8H,1H3;1-5,7-8H;;;;/q2*-1;;3*-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]-1,2,4-oxadiazole;tetrakis(iridium);1-O-methyl 5-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 2,2,4-trimethyl-4-(3-phenylbutyl)pentanedioate;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]-1,2,4-oxadiazole;tetrakis(iridium);1-O-methyl 5-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 2,2,4-trimethyl-4-(3-phenylbutyl)pentanedioate;1-methyl-2-phenylimidazole;1-phenylpyrazole has a molecular weight of 2905.51 g/mol, XLogP of 28.39, 34 rotatable bonds, 0 hydrogen bond donors, and 27 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]-1,2,4-oxadiazole;tetrakis(iridium);1-O-methyl 5-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 2,2,4-trimethyl-4-(3-phenylbutyl)pentanedioate;1-methyl-2-phenylimidazole;1-phenylpyrazole is sourced from PubChem (CID 157430159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).