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;hexakis(iridium);methane;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;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid

C188H191Ir6N19O14-8 — CID 157461610

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;hexakis(iridium);methane;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;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid

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;hexakis(iridium);methane;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;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid (PubChem CID 157461610) has the molecular formula C188H191Ir6N19O14-8 and a molecular weight of 4094.02 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;hexakis(iridium);methane;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;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid.

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;hexakis(iridium);methane;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;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid
• PubChem CID: 157461610
• Molecular Formula: C188H191Ir6N19O14-8
• Molecular Weight: 4094.02 g/mol
• Exact Mass: 4096.26
• 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;hexakis(iridium);methane;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;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid
• SMILES: C.C.C.C.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(-c2cnc3c4[c-]cccc4c4ccc(C)cc4n23)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.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2ccccc2cc1-c1nccn1-c1ccccc1.[c-]1ccccc1-n1cccn1
• InChI: InChI=1S/C37H43N2O5.C33H40N3O5.C25H21N2.C23H22N3O.C22H15N2O.C19H13N2.C10H9N2.C9H7N2.C6H5NO2.4CH4.6Ir/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;1-15-9-10-20-19-7-5-6-8-21(19)25-26-14-23(27(25)22(20)13-15)24-17(3)11-16(2)12-18(24)4;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;1-2-8-18(9-3-1)21-13-12-20-19(21)17-11-10-15-6-4-5-7-16(15)14-17;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;8-6(9)5-3-1-2-4-7-5;;;;;;;;;;/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;5-7,9-14H,1-4H3;6-8,10-13H,1-5H3;2-9,11-14H,1H3;1-10,12-14H;2-5,7-8H,1H3;1-5,7-8H;1-4H,(H,8,9);4*1H4;;;;;;/q8*-1
• InChIKey: LCZMVVMBQIMQLL-UHFFFAOYSA-N
• XLogP: 42.95
• TPSA: 378.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 38
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4094.02
LogP ≤ 5	42.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', '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;hexakis(iridium);methane;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;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid?

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;hexakis(iridium);methane;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;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid (CID 157461610) 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;hexakis(iridium);methane;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;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid.

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;hexakis(iridium);methane;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;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid?

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;hexakis(iridium);methane;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;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid is C.C.C.C.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(-c2cnc3c4[c-]cccc4c4ccc(C)cc4n23)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.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2ccccc2cc1-c1nccn1-c1ccccc1.[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;hexakis(iridium);methane;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;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid?

The InChIKey is LCZMVVMBQIMQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H43N2O5.C33H40N3O5.C25H21N2.C23H22N3O.C22H15N2O.C19H13N2.C10H9N2.C9H7N2.C6H5NO2.4CH4.6Ir/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;1-15-9-10-20-19-7-5-6-8-21(19)25-26-14-23(27(25)22(20)13-15)24-17(3)11-16(2)12-18(24)4;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;1-2-8-18(9-3-1)21-13-12-20-19(21)17-11-10-15-6-4-5-7-16(15)14-17;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;8-6(9)5-3-1-2-4-7-5;;;;;;;;;;/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;5-7,9-14H,1-4H3;6-8,10-13H,1-5H3;2-9,11-14H,1H3;1-10,12-14H;2-5,7-8H,1H3;1-5,7-8H;1-4H,(H,8,9);4*1H4;;;;;;/q8*-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;hexakis(iridium);methane;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;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid?

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;hexakis(iridium);methane;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;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid has a molecular weight of 4094.02 g/mol, XLogP of 42.95, 38 rotatable bonds, 1 hydrogen bond donors, and 32 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;hexakis(iridium);methane;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;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid is sourced from PubChem (CID 157461610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).