2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-N,N-diphenylaniline;1-(2,6-dimethylphenyl)-2-phenylimidazole;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;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pyridine-2-carboxylic acid

C154H128Ir5N17O4-7 — CID 160928210

IUPAC2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-N,N-diphenylaniline;1-(2,6-dimethylphenyl)-2-phenylimidazole;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;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;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.Cc1cc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)cc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2oc3ccccc3c2c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2ccccc2cc1-c1nccn1-c1ccccc1
InChIInChI=1S/C35H28N3.C23H17N2O.C19H13N2.C19H17N2.C18H17N2.C17H16N3O.C17H15N2.C6H5NO2.5Ir/c1-26-23-30(24-27(2)34(26)37-22-21-36-35(37)28-13-6-3-7-14-28)29-15-12-20-33(25-29)38(31-16-8-4-9-17-31)32-18-10-5-11-19-32;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;1-2-8-18(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;1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;1-12-10-15(21-3)11-13(2)16(12)20-9-8-19-17(20)14-4-6-18-7-5-14;1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;8-6(9)5-3-1-2-4-7-5;;;;;/h3-13,15-25H,1-2H3;3-9,11-14H,1-2H3;1-10,12-14H;4-8,10-13H,1H2,2-3H3;4-7,9-12H,1-3H3;4,6-11H,1-3H3;3-9,11-12H,1-2H3;1-4H,(H,8,9);;;;;/q7*-1;;;;;;
InChIKeyHAWZLDZMZQDSEO-UHFFFAOYSA-N
MW3241.92 g/mol
LogP36.39
Rot. Bonds21

About 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-N,N-diphenylaniline;1-(2,6-dimethylphenyl)-2-phenylimidazole;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;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pyridine-2-carboxylic acid

2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-N,N-diphenylaniline;1-(2,6-dimethylphenyl)-2-phenylimidazole;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;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pyridine-2-carboxylic acid (PubChem CID 160928210) has the molecular formula C154H128Ir5N17O4-7 and a molecular weight of 3241.92 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-N,N-diphenylaniline;1-(2,6-dimethylphenyl)-2-phenylimidazole;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;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-N,N-diphenylaniline;1-(2,6-dimethylphenyl)-2-phenylimidazole;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;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pyridine-2-carboxylic acid
PubChem CID160928210
Molecular FormulaC154H128Ir5N17O4-7
Molecular Weight3241.92 g/mol
Exact Mass3243.85
IUPAC Name2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-N,N-diphenylaniline;1-(2,6-dimethylphenyl)-2-phenylimidazole;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;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;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.Cc1cc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)cc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2oc3ccccc3c2c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2ccccc2cc1-c1nccn1-c1ccccc1
InChIInChI=1S/C35H28N3.C23H17N2O.C19H13N2.C19H17N2.C18H17N2.C17H16N3O.C17H15N2.C6H5NO2.5Ir/c1-26-23-30(24-27(2)34(26)37-22-21-36-35(37)28-13-6-3-7-14-28)29-15-12-20-33(25-29)38(31-16-8-4-9-17-31)32-18-10-5-11-19-32;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;1-2-8-18(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;1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;1-12-10-15(21-3)11-13(2)16(12)20-9-8-19-17(20)14-4-6-18-7-5-14;1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;8-6(9)5-3-1-2-4-7-5;;;;;/h3-13,15-25H,1-2H3;3-9,11-14H,1-2H3;1-10,12-14H;4-8,10-13H,1H2,2-3H3;4-7,9-12H,1-3H3;4,6-11H,1-3H3;3-9,11-12H,1-2H3;1-4H,(H,8,9);;;;;/q7*-1;;;;;;
InChIKeyHAWZLDZMZQDSEO-UHFFFAOYSA-N
XLogP36.39
TPSA213.43 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003241.92
LogP ≤ 536.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

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;3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-N,N-diphenylaniline;1-(2,6-dimethylphenyl)-2-phenylimidazole;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;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pyridine-2-carboxylic acid with MolForge

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Related Compounds

1-(2,6-diphenylphenyl)-2-[5-(4-fluorophenyl)-9H-naphtho[2,1-b][1]benzofuran-9-id-8-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)germane)
CID 157463071
2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;pentakis(iridium);2-phenylpyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 158170112
CID 158383484
CID 158383484
CID 159601690
CID 159601690
2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine;2-dibenzofuran-4-yl-4,5-dimethylpyridine;tetrakis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzimidazole);bis(iridium(3+));methanol;trifluoromethanesulfonate
CID 160632388
2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-dibenzofuran-4-ylpyridine;tetrakis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylbenzimidazole);bis(iridium(3+));methanol;trifluoromethanesulfonate
CID 160990946
2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine;2-dibenzofuran-4-yl-4,5-dimethylpyridine;tetrakis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);bis(iridium(3+));methanol;trifluoromethanesulfonate
CID 161542561
Bis(2-(4-fluorobenzene-6-id-1-yl)-3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole);iridium;pyridine-2-carboxylic acid
CID 139244557
bis(2-(3H-dibenzofuran-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole);2-(2,9-dihydrofluoren-2-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole;iridium(3+)
CID 57648548
9-[8-[3,6-Bis[2-(1-phenylimidazol-2-yl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]-3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazole
CID 57958260
Iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole);3-(8-propoxydibenzofuran-2-yl)-9-[3-[3-[8-[2-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]ethyl]dibenzofuran-2-yl]carbazol-9-yl]phenyl]carbazole
CID 57958320
4-[2-[3,5-bis[2-[2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazol-4-yl]ethyl]phenyl]ethyl]-2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;iridium(3+)
CID 58059007

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-N,N-diphenylaniline;1-(2,6-dimethylphenyl)-2-phenylimidazole;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;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pyridine-2-carboxylic acid?
The IUPAC name of 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-N,N-diphenylaniline;1-(2,6-dimethylphenyl)-2-phenylimidazole;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;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pyridine-2-carboxylic acid (CID 160928210) is 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-N,N-diphenylaniline;1-(2,6-dimethylphenyl)-2-phenylimidazole;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;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pyridine-2-carboxylic acid.
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-N,N-diphenylaniline;1-(2,6-dimethylphenyl)-2-phenylimidazole;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;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pyridine-2-carboxylic acid?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-N,N-diphenylaniline;1-(2,6-dimethylphenyl)-2-phenylimidazole;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;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;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.Cc1cc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)cc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cc2oc3ccccc3c2c1.Cc1cccc(C)c1-n1ccnc1-c1[c-]cccc1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2ccccc2cc1-c1nccn1-c1ccccc1.
What is the InChIKey of 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-N,N-diphenylaniline;1-(2,6-dimethylphenyl)-2-phenylimidazole;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;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pyridine-2-carboxylic acid?
The InChIKey is HAWZLDZMZQDSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N3.C23H17N2O.C19H13N2.C19H17N2.C18H17N2.C17H16N3O.C17H15N2.C6H5NO2.5Ir/c1-26-23-30(24-27(2)34(26)37-22-21-36-35(37)28-13-6-3-7-14-28)29-15-12-20-33(25-29)38(31-16-8-4-9-17-31)32-18-10-5-11-19-32;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;1-2-8-18(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;1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;1-12-10-15(21-3)11-13(2)16(12)20-9-8-19-17(20)14-4-6-18-7-5-14;1-13-7-6-8-14(2)16(13)19-12-11-18-17(19)15-9-4-3-5-10-15;8-6(9)5-3-1-2-4-7-5;;;;;/h3-13,15-25H,1-2H3;3-9,11-14H,1-2H3;1-10,12-14H;4-8,10-13H,1H2,2-3H3;4-7,9-12H,1-3H3;4,6-11H,1-3H3;3-9,11-12H,1-2H3;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;3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-N,N-diphenylaniline;1-(2,6-dimethylphenyl)-2-phenylimidazole;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;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pyridine-2-carboxylic acid?
2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-N,N-diphenylaniline;1-(2,6-dimethylphenyl)-2-phenylimidazole;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;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pyridine-2-carboxylic acid has a molecular weight of 3241.92 g/mol, XLogP of 36.39, 21 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-N,N-diphenylaniline;1-(2,6-dimethylphenyl)-2-phenylimidazole;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;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pyridine-2-carboxylic acid is sourced from PubChem (CID 160928210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).