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

C115H90Ir5N14O5-6 — CID 158951013

IUPAC2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;1-(4-ethenyl-2,6-dimethylphenyl)-2-phenylimidazole;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid
SMILESC=Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.COc1cc(C)c(-n2ccnc2-c2[c-]cncc2)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2oc3ccccc3c2c1.Cc1ccccc1-n1ccnc1-c1[c-]ccc2c1oc1ccccc12.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2ccccc2cc1-c1nccn1-c1ccccc1.[c-]1ccccc1-n1cccn1
InChIInChI=1S/C23H17N2O.C22H15N2O.C19H13N2.C19H17N2.C17H16N3O.C9H7N2.C6H5NO2.5Ir/c1-15-6-5-7-16(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;1-4-16-12-14(2)18(15(3)13-16)21-11-10-20-19(21)17-8-6-5-7-9-17;1-12-10-15(21-3)11-13(2)16(12)20-9-8-19-17(20)14-4-6-18-7-5-14;1-2-5-9(6-3-1)11-8-4-7-10-11;8-6(9)5-3-1-2-4-7-5;;;;;/h3-9,11-14H,1-2H3;2-9,11-14H,1H3;1-10,12-14H;4-8,10-13H,1H2,2-3H3;4,6-11H,1-3H3;1-5,7-8H;1-4H,(H,8,9);;;;;/q6*-1;;;;;;
InChIKeyKSPAFJMJVVTBHU-UHFFFAOYSA-N
MW2709.16 g/mol
LogP26.29
Rot. Bonds14

About 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;1-(4-ethenyl-2,6-dimethylphenyl)-2-phenylimidazole;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;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;1-(4-ethenyl-2,6-dimethylphenyl)-2-phenylimidazole;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid (PubChem CID 158951013) has the molecular formula C115H90Ir5N14O5-6 and a molecular weight of 2709.16 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;1-(4-ethenyl-2,6-dimethylphenyl)-2-phenylimidazole;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;1-(4-ethenyl-2,6-dimethylphenyl)-2-phenylimidazole;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid
PubChem CID158951013
Molecular FormulaC115H90Ir5N14O5-6
Molecular Weight2709.16 g/mol
Exact Mass2711.54
IUPAC Name2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;1-(4-ethenyl-2,6-dimethylphenyl)-2-phenylimidazole;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid
SMILESC=Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.COc1cc(C)c(-n2ccnc2-c2[c-]cncc2)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2oc3ccccc3c2c1.Cc1ccccc1-n1ccnc1-c1[c-]ccc2c1oc1ccccc12.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2ccccc2cc1-c1nccn1-c1ccccc1.[c-]1ccccc1-n1cccn1
InChIInChI=1S/C23H17N2O.C22H15N2O.C19H13N2.C19H17N2.C17H16N3O.C9H7N2.C6H5NO2.5Ir/c1-15-6-5-7-16(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;1-4-16-12-14(2)18(15(3)13-16)21-11-10-20-19(21)17-8-6-5-7-9-17;1-12-10-15(21-3)11-13(2)16(12)20-9-8-19-17(20)14-4-6-18-7-5-14;1-2-5-9(6-3-1)11-8-4-7-10-11;8-6(9)5-3-1-2-4-7-5;;;;;/h3-9,11-14H,1-2H3;2-9,11-14H,1H3;1-10,12-14H;4-8,10-13H,1H2,2-3H3;4,6-11H,1-3H3;1-5,7-8H;1-4H,(H,8,9);;;;;/q6*-1;;;;;;
InChIKeyKSPAFJMJVVTBHU-UHFFFAOYSA-N
XLogP26.29
TPSA205.51 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002709.16
LogP ≤ 526.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3H-dibenzofuran-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;9-ethyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;2-(4-fluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole;octakis(iridium);1-phenylpyrazole;bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole);9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;2-phenyl-3-(2,4,6-trimethylphenyl)-3H-pyrrole;4-phenyl-1-(2,4,6-trimethylphenyl)triazole;2-[4-(trifluoromethoxy)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;chloride
CID 160002248
tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5,7-difluoro-3-propan-2-yl-1H-indole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;4-methyl-3-propan-2-yl-1H-indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-propan-2-yl-6-(trifluoromethyl)-1H-indole;1,3,5-tri(propan-2-yl)pyrazole
CID 160638966
tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5,7-difluoro-3-propan-2-yl-1H-indole;1,6-dimethylpyrrolo[3,2-c]pyridine;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;4-methyl-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
CID 160714457
1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]pyrazole;6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;2-[3-(1-methyl-2-phenylimidazol-4-yl)pentan-3-yl]-6-phenylpyridine;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;platinum;tetrakis(platinum(2+))
CID 161345926
[5-[3-[3,5-Dimethyl-4-(2-phenylimidazol-1-yl)phenyl]propanoyloxy]-2-ethyl-4-methylpentyl] 3-[3-[8-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-5-yl]phenyl]propanoate;iridium;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 58099680
4-(2-Methylphenyl)spiro[19-oxa-4-aza-7-azoniapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),3(7),5,10,13,15,17-octaene-8,5'-pyrazolo[1,2-a]indazol-4-ium]
CID 58113478
CID 59358137
CID 59358137
6-(8-carbazol-9-yldibenzofuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 59359270
5-Methyl-3-[(1-methylimidazol-2-yl)methoxymethyl]-15-(3-naphthalen-1-yloxypropyl)-8-oxa-4,5,13-triazatetracyclo[11.6.1.02,6.016,20]icosa-1(19),2(6),3,14,16(20),17-hexaene-14-carboxylic acid
CID 132143456
5-Chloro-3-[(1-methylimidazol-2-yl)methoxymethyl]-15-(3-naphthalen-1-yloxypropyl)-8-oxa-4,5,13-triazatetracyclo[11.6.1.02,6.016,20]icosa-1(19),2(6),3,14,16(20),17-hexaene-14-carboxylic acid
CID 132161874
CID 154594994
CID 154594994
CID 154595073
CID 154595073

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;1-(4-ethenyl-2,6-dimethylphenyl)-2-phenylimidazole;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-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-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;1-(4-ethenyl-2,6-dimethylphenyl)-2-phenylimidazole;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid (CID 158951013) is 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;1-(4-ethenyl-2,6-dimethylphenyl)-2-phenylimidazole;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-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-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;1-(4-ethenyl-2,6-dimethylphenyl)-2-phenylimidazole;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-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-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;1-(4-ethenyl-2,6-dimethylphenyl)-2-phenylimidazole;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid is C=Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.COc1cc(C)c(-n2ccnc2-c2[c-]cncc2)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2oc3ccccc3c2c1.Cc1ccccc1-n1ccnc1-c1[c-]ccc2c1oc1ccccc12.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;1-(4-ethenyl-2,6-dimethylphenyl)-2-phenylimidazole;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid?
The InChIKey is KSPAFJMJVVTBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N2O.C22H15N2O.C19H13N2.C19H17N2.C17H16N3O.C9H7N2.C6H5NO2.5Ir/c1-15-6-5-7-16(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;1-4-16-12-14(2)18(15(3)13-16)21-11-10-20-19(21)17-8-6-5-7-9-17;1-12-10-15(21-3)11-13(2)16(12)20-9-8-19-17(20)14-4-6-18-7-5-14;1-2-5-9(6-3-1)11-8-4-7-10-11;8-6(9)5-3-1-2-4-7-5;;;;;/h3-9,11-14H,1-2H3;2-9,11-14H,1H3;1-10,12-14H;4-8,10-13H,1H2,2-3H3;4,6-11H,1-3H3;1-5,7-8H;1-4H,(H,8,9);;;;;/q6*-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;1-(4-ethenyl-2,6-dimethylphenyl)-2-phenylimidazole;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;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;1-(4-ethenyl-2,6-dimethylphenyl)-2-phenylimidazole;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid has a molecular weight of 2709.16 g/mol, XLogP of 26.29, 14 rotatable bonds, 1 hydrogen bond donors, and 18 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;1-(4-ethenyl-2,6-dimethylphenyl)-2-phenylimidazole;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid is sourced from PubChem (CID 158951013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).