2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;pentakis(iridium);2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole

C129H126FIr5N10OS-5 — CID 157417790

IUPAC2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;pentakis(iridium);2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole
SMILESCC(C)c1cc(-c2ccccc2)c(-n2ccnc2-c2[c-]cc(F)cc2)c(-c2ccccc2)c1.CC(C)c1cc(C(C)C)c(-n2ccnc2-c2[c-]cccc2)c(C(C)C)c1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cc2oc3ccccc3c2c1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cc2sc3ccccc3c2c1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C30H24FN2.C27H25N2O.C27H25N2S.C24H29N2.C21H23N2.5Ir/c1-21(2)25-19-27(22-9-5-3-6-10-22)29(28(20-25)23-11-7-4-8-12-23)33-18-17-32-30(33)24-13-15-26(31)16-14-24;2*1-17(2)20-9-7-10-21(18(3)4)26(20)29-15-14-28-27(29)19-12-13-25-23(16-19)22-8-5-6-11-24(22)30-25;1-16(2)20-14-21(17(3)4)23(22(15-20)18(5)6)26-13-12-25-24(26)19-10-8-7-9-11-19;1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;;;;;/h3-13,15-21H,1-2H3;2*5-11,13-18H,1-4H3;7-10,12-18H,1-6H3;5-9,11-16H,1-4H3;;;;;/q5*-1;;;;;
InChIKeyYKTQNBBVMVVBFL-UHFFFAOYSA-N
MW2844.65 g/mol
LogP35.66
Rot. Bonds22

About 2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;pentakis(iridium);2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole

2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;pentakis(iridium);2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole (PubChem CID 157417790) has the molecular formula C129H126FIr5N10OS-5 and a molecular weight of 2844.65 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;pentakis(iridium);2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole.

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;pentakis(iridium);2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole
PubChem CID157417790
Molecular FormulaC129H126FIr5N10OS-5
Molecular Weight2844.65 g/mol
Exact Mass2846.80
IUPAC Name2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;pentakis(iridium);2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole
SMILESCC(C)c1cc(-c2ccccc2)c(-n2ccnc2-c2[c-]cc(F)cc2)c(-c2ccccc2)c1.CC(C)c1cc(C(C)C)c(-n2ccnc2-c2[c-]cccc2)c(C(C)C)c1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cc2oc3ccccc3c2c1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cc2sc3ccccc3c2c1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C30H24FN2.C27H25N2O.C27H25N2S.C24H29N2.C21H23N2.5Ir/c1-21(2)25-19-27(22-9-5-3-6-10-22)29(28(20-25)23-11-7-4-8-12-23)33-18-17-32-30(33)24-13-15-26(31)16-14-24;2*1-17(2)20-9-7-10-21(18(3)4)26(20)29-15-14-28-27(29)19-12-13-25-23(16-19)22-8-5-6-11-24(22)30-25;1-16(2)20-14-21(17(3)4)23(22(15-20)18(5)6)26-13-12-25-24(26)19-10-8-7-9-11-19;1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;;;;;/h3-13,15-21H,1-2H3;2*5-11,13-18H,1-4H3;7-10,12-18H,1-6H3;5-9,11-16H,1-4H3;;;;;/q5*-1;;;;;
InChIKeyYKTQNBBVMVVBFL-UHFFFAOYSA-N
XLogP35.66
TPSA102.24 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002844.65
LogP ≤ 535.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;pentakis(iridium);2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole with MolForge

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Related Compounds

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
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
2-(6-Dibenzothiophen-3-yl-7-fluoro-3-methyldibenzofuran-4-yl)-1-methyl-3-phenylimidazol-1-ium
CID 164849420
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
1-[4-(5-Hexyl-1-benzofuran-2-yl)phenyl]-2-phenylimidazole;iridium;1-phenyl-2-phenylimidazole
CID 57894883
2-(3H-dibenzofuran-3-id-2-yl)-1-[4-(3-ethylhexyl)phenyl]imidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-phenylimidazole;iridium
CID 57894919
1-(4-benzylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)imidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-phenylimidazole;iridium
CID 57894984
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
4-[2-[3,5-bis[2-[2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazol-4-yl]ethyl]phenyl]ethyl]-2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;iridium(3+)
CID 58059069
2-(3H-dibenzofuran-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;iridium
CID 58175616
1-[4-Dibenzofuran-4-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium
CID 58175635
1-[4-Dibenzofuran-2-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium
CID 58175641

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;pentakis(iridium);2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole?
The IUPAC name of 2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;pentakis(iridium);2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole (CID 157417790) is 2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;pentakis(iridium);2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole.
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;pentakis(iridium);2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;pentakis(iridium);2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole is CC(C)c1cc(-c2ccccc2)c(-n2ccnc2-c2[c-]cc(F)cc2)c(-c2ccccc2)c1.CC(C)c1cc(C(C)C)c(-n2ccnc2-c2[c-]cccc2)c(C(C)C)c1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cc2oc3ccccc3c2c1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cc2sc3ccccc3c2c1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;pentakis(iridium);2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole?
The InChIKey is YKTQNBBVMVVBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN2.C27H25N2O.C27H25N2S.C24H29N2.C21H23N2.5Ir/c1-21(2)25-19-27(22-9-5-3-6-10-22)29(28(20-25)23-11-7-4-8-12-23)33-18-17-32-30(33)24-13-15-26(31)16-14-24;2*1-17(2)20-9-7-10-21(18(3)4)26(20)29-15-14-28-27(29)19-12-13-25-23(16-19)22-8-5-6-11-24(22)30-25;1-16(2)20-14-21(17(3)4)23(22(15-20)18(5)6)26-13-12-25-24(26)19-10-8-7-9-11-19;1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;;;;;/h3-13,15-21H,1-2H3;2*5-11,13-18H,1-4H3;7-10,12-18H,1-6H3;5-9,11-16H,1-4H3;;;;;/q5*-1;;;;;.
What are the key properties of 2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;pentakis(iridium);2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole?
2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;pentakis(iridium);2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole has a molecular weight of 2844.65 g/mol, XLogP of 35.66, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;2-(3H-dibenzothiophen-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluorobenzene-6-id-1-yl)imidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;pentakis(iridium);2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole is sourced from PubChem (CID 157417790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).