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;3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]-9-phenylcarbazole;8-[3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)pyrido[3,2-b]indole;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

C245H197Ir5N29O4-4 — CID 159291813

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;3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]-9-phenylcarbazole;8-[3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)pyrido[3,2-b]indole;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(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc(C)c1-n1cc[n+]2c1-c1ccccc1C2.Cc1cc(-c2cccc(-n3c4ccncc4c4cnccc43)c2)cc(C)c1-n1cc[n+]2c1-c1ccccc1C2.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.c1ccc2c(c1)C[n+]1ccn(-n3c4ccccc4c4ncccc43)c1-2
InChIInChI=1S/C36H28N3.C35H28N3.C34H26N5.C23H17N2O.C21H15N4.C19H13N2.C19H17N2.C18H17N2.C17H16N3O.C17H15N2.C6H5NO2.5Ir/c1-24-20-28(21-25(2)35(24)38-19-18-37-23-27-10-6-7-13-30(27)36(37)38)26-16-17-34-32(22-26)31-14-8-9-15-33(31)39(34)29-11-4-3-5-12-29;1-26-23-30(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;1-22-16-26(17-23(2)33(22)38-15-14-37-21-25-6-3-4-9-28(25)34(37)38)24-7-5-8-27(18-24)39-31-10-12-35-19-29(31)30-20-36-13-11-32(30)39;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;1-2-7-16-15(6-1)14-23-12-13-24(21(16)23)25-18-9-4-3-8-17(18)20-19(25)10-5-11-22-20;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;;;;;/h3-22H,23H2,1-2H3;3-13,15-25H,1-2H3;3-20H,21H2,1-2H3;3-9,11-14H,1-2H3;1-13H,14H2;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);;;;;/q+1;-1;+1;-1;+1;5*-1;;;;;;
InChIKeyXTLRQINDGHGMLK-UHFFFAOYSA-N
MW4572.55 g/mol
LogP55.15
Rot. Bonds28

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;3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]-9-phenylcarbazole;8-[3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)pyrido[3,2-b]indole;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;3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]-9-phenylcarbazole;8-[3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)pyrido[3,2-b]indole;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 159291813) has the molecular formula C245H197Ir5N29O4-4 and a molecular weight of 4572.55 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;3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]-9-phenylcarbazole;8-[3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)pyrido[3,2-b]indole;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;3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]-9-phenylcarbazole;8-[3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)pyrido[3,2-b]indole;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 CID159291813
Molecular FormulaC245H197Ir5N29O4-4
Molecular Weight4572.55 g/mol
Exact Mass4573.43
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;3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]-9-phenylcarbazole;8-[3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)pyrido[3,2-b]indole;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(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc(C)c1-n1cc[n+]2c1-c1ccccc1C2.Cc1cc(-c2cccc(-n3c4ccncc4c4cnccc43)c2)cc(C)c1-n1cc[n+]2c1-c1ccccc1C2.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.c1ccc2c(c1)C[n+]1ccn(-n3c4ccccc4c4ncccc43)c1-2
InChIInChI=1S/C36H28N3.C35H28N3.C34H26N5.C23H17N2O.C21H15N4.C19H13N2.C19H17N2.C18H17N2.C17H16N3O.C17H15N2.C6H5NO2.5Ir/c1-24-20-28(21-25(2)35(24)38-19-18-37-23-27-10-6-7-13-30(27)36(37)38)26-16-17-34-32(22-26)31-14-8-9-15-33(31)39(34)29-11-4-3-5-12-29;1-26-23-30(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;1-22-16-26(17-23(2)33(22)38-15-14-37-21-25-6-3-4-9-28(25)34(37)38)24-7-5-8-27(18-24)39-31-10-12-35-19-29(31)30-20-36-13-11-32(30)39;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;1-2-7-16-15(6-1)14-23-12-13-24(21(16)23)25-18-9-4-3-8-17(18)20-19(25)10-5-11-22-20;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;;;;;/h3-22H,23H2,1-2H3;3-13,15-25H,1-2H3;3-20H,21H2,1-2H3;3-9,11-14H,1-2H3;1-13H,14H2;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);;;;;/q+1;-1;+1;-1;+1;5*-1;;;;;;
InChIKeyXTLRQINDGHGMLK-UHFFFAOYSA-N
XLogP55.15
TPSA293.32 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms283
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004572.55
LogP ≤ 555.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

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;3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]-9-phenylcarbazole;8-[3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)pyrido[3,2-b]indole;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

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

Launch Full Analysis

Related Compounds

CID 157095175
CID 157095175
1-(4-tert-butylphenyl)-2-(8-fluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(2,6-dimethyl-4-pyridinyl)-2-(7-fluoro-1-methyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;1-(4-fluoro-3-phenylphenyl)-2-[1-fluoro-7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;octakis(iridium);1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-naphthalen-2-yl-2-(1,6,8-trifluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;octakis(trimethyl-(6-phenyl-3-pyridinyl)germane)
CID 158079780
CID 158344229
CID 158344229
CID 158383484
CID 158383484
CID 159601690
CID 159601690
CID 160341449
CID 160341449
CID 160843772
CID 160843772
CID 161209560
CID 161209560
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
CID 164154035
CID 164154035
CID 172989504
CID 172989504
Iridium;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;8-[2-[5-[3-[5-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-3-yl]phenyl]pyrido[3,2-b]indol-8-yl]dibenzofuran-4-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58059020

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;3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]-9-phenylcarbazole;8-[3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)pyrido[3,2-b]indole;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;3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]-9-phenylcarbazole;8-[3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)pyrido[3,2-b]indole;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 159291813) 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;3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]-9-phenylcarbazole;8-[3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)pyrido[3,2-b]indole;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;3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]-9-phenylcarbazole;8-[3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)pyrido[3,2-b]indole;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;3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]-9-phenylcarbazole;8-[3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)pyrido[3,2-b]indole;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(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc(C)c1-n1cc[n+]2c1-c1ccccc1C2.Cc1cc(-c2cccc(-n3c4ccncc4c4cnccc43)c2)cc(C)c1-n1cc[n+]2c1-c1ccccc1C2.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.c1ccc2c(c1)C[n+]1ccn(-n3c4ccccc4c4ncccc43)c1-2.
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;3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]-9-phenylcarbazole;8-[3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)pyrido[3,2-b]indole;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 XTLRQINDGHGMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N3.C35H28N3.C34H26N5.C23H17N2O.C21H15N4.C19H13N2.C19H17N2.C18H17N2.C17H16N3O.C17H15N2.C6H5NO2.5Ir/c1-24-20-28(21-25(2)35(24)38-19-18-37-23-27-10-6-7-13-30(27)36(37)38)26-16-17-34-32(22-26)31-14-8-9-15-33(31)39(34)29-11-4-3-5-12-29;1-26-23-30(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;1-22-16-26(17-23(2)33(22)38-15-14-37-21-25-6-3-4-9-28(25)34(37)38)24-7-5-8-27(18-24)39-31-10-12-35-19-29(31)30-20-36-13-11-32(30)39;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;1-2-7-16-15(6-1)14-23-12-13-24(21(16)23)25-18-9-4-3-8-17(18)20-19(25)10-5-11-22-20;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;;;;;/h3-22H,23H2,1-2H3;3-13,15-25H,1-2H3;3-20H,21H2,1-2H3;3-9,11-14H,1-2H3;1-13H,14H2;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);;;;;/q+1;-1;+1;-1;+1;5*-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;3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]-9-phenylcarbazole;8-[3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)pyrido[3,2-b]indole;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;3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]-9-phenylcarbazole;8-[3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)pyrido[3,2-b]indole;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 4572.55 g/mol, XLogP of 55.15, 28 rotatable bonds, 1 hydrogen bond donors, and 29 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;3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]-9-phenylcarbazole;8-[3-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)pyrido[3,2-b]indole;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 159291813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).