2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid

C129H104Ir5N17O6-7 — CID 157139035

About 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid

2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid (PubChem CID 157139035) has the molecular formula C129H104Ir5N17O6-7 and a molecular weight of 2949.45 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid
• PubChem CID: 157139035
• Molecular Formula: C129H104Ir5N17O6-7
• Molecular Weight: 2949.45 g/mol
• Exact Mass: 2951.65
• IUPAC Name: 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid
• SMILES: COc1cc(C)c(-n2ccnc2-c2[c-]cncc2)c(C)c1.Cc1cc(C)c(-n2cc(-c3c(C)cccc3C)nc2-c2[c-]con2)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2oc3ccccc3c2c1.Cc1ccccc1-n1ccnc1-c1[c-]ccc2c1oc1ccccc12.Cn1ccnc1-c1[c-]cccc1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2ccccc2cc1-c1nccn1-c1ccccc1.[c-]1ccccc1-n1cccn1
• InChI: InChI=1S/C23H22N3O.C23H17N2O.C22H15N2O.C19H13N2.C17H16N3O.C10H9N2.C9H7N2.C6H5NO2.5Ir/c1-14-11-17(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;1-15-6-5-7-16(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;1-15-7-2-4-11-19(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;1-12-10-15(21-3)11-13(2)16(12)20-9-8-19-17(20)14-4-6-18-7-5-14;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;;;;;/h6-8,10-13H,1-5H3;3-9,11-14H,1-2H3;2-9,11-14H,1H3;1-10,12-14H;4,6-11H,1-3H3;2-5,7-8H,1H3;1-5,7-8H;1-4H,(H,8,9);;;;;/q7*-1
• InChIKey: BWOPKDPNPFYHFS-UHFFFAOYSA-N
• XLogP: 29.12
• TPSA: 249.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2949.45
LogP ≤ 5	29.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

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-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid?

The IUPAC name of 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid (CID 157139035) is 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;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-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid is COc1cc(C)c(-n2ccnc2-c2[c-]cncc2)c(C)c1.Cc1cc(C)c(-n2cc(-c3c(C)cccc3C)nc2-c2[c-]con2)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2oc3ccccc3c2c1.Cc1ccccc1-n1ccnc1-c1[c-]ccc2c1oc1ccccc12.Cn1ccnc1-c1[c-]cccc1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2ccccc2cc1-c1nccn1-c1ccccc1.[c-]1ccccc1-n1cccn1.

What is the InChIKey of 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid?

The InChIKey is BWOPKDPNPFYHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N3O.C23H17N2O.C22H15N2O.C19H13N2.C17H16N3O.C10H9N2.C9H7N2.C6H5NO2.5Ir/c1-14-11-17(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;1-15-6-5-7-16(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;1-15-7-2-4-11-19(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;1-12-10-15(21-3)11-13(2)16(12)20-9-8-19-17(20)14-4-6-18-7-5-14;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;;;;;/h6-8,10-13H,1-5H3;3-9,11-14H,1-2H3;2-9,11-14H,1H3;1-10,12-14H;4,6-11H,1-3H3;2-5,7-8H,1H3;1-5,7-8H;1-4H,(H,8,9);;;;;/q7*-1;;;;;;.

What are the key properties of 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid?

2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid has a molecular weight of 2949.45 g/mol, XLogP of 29.12, 15 rotatable bonds, 1 hydrogen bond donors, and 22 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-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid is sourced from PubChem (CID 157139035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).