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+)

C81H63IrN6O3 — CID 58059007

IUPAC4-[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+)
SMILESCc1cccc(C)c1-n1cc(CCc2cc(CCc3cn(-c4c(C)cccc4C)c(-c4[c-]cc5oc6ccccc6c5c4)n3)cc(CCc3cn(-c4c(C)cccc4C)c(-c4[c-]cc5oc6ccccc6c5c4)n3)c2)nc1-c1[c-]cc2oc3ccccc3c2c1.[Ir+3]
InChIInChI=1S/C81H63N6O3.Ir/c1-49-16-13-17-50(2)76(49)85-46-61(82-79(85)58-31-37-73-67(43-58)64-22-7-10-25-70(64)88-73)34-28-55-40-56(29-35-62-47-86(77-51(3)18-14-19-52(77)4)80(83-62)59-32-38-74-68(44-59)65-23-8-11-26-71(65)89-74)42-57(41-55)30-36-63-48-87(78-53(5)20-15-21-54(78)6)81(84-63)60-33-39-75-69(45-60)66-24-9-12-27-72(66)90-75;/h7-27,37-48H,28-30,34-36H2,1-6H3;/q-3;+3
InChIKeyXCPLKAUSEOBURU-UHFFFAOYSA-N
MW1360.65 g/mol
LogP19.55
Rot. Bonds15

About 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+)

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+) (PubChem CID 58059007) has the molecular formula C81H63IrN6O3 and a molecular weight of 1360.65 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound Name4-[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+)
PubChem CID58059007
Molecular FormulaC81H63IrN6O3
Molecular Weight1360.65 g/mol
Exact Mass1360.46
IUPAC Name4-[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+)
SMILESCc1cccc(C)c1-n1cc(CCc2cc(CCc3cn(-c4c(C)cccc4C)c(-c4[c-]cc5oc6ccccc6c5c4)n3)cc(CCc3cn(-c4c(C)cccc4C)c(-c4[c-]cc5oc6ccccc6c5c4)n3)c2)nc1-c1[c-]cc2oc3ccccc3c2c1.[Ir+3]
InChIInChI=1S/C81H63N6O3.Ir/c1-49-16-13-17-50(2)76(49)85-46-61(82-79(85)58-31-37-73-67(43-58)64-22-7-10-25-70(64)88-73)34-28-55-40-56(29-35-62-47-86(77-51(3)18-14-19-52(77)4)80(83-62)59-32-38-74-68(44-59)65-23-8-11-26-71(65)89-74)42-57(41-55)30-36-63-48-87(78-53(5)20-15-21-54(78)6)81(84-63)60-33-39-75-69(45-60)66-24-9-12-27-72(66)90-75;/h7-27,37-48H,28-30,34-36H2,1-6H3;/q-3;+3
InChIKeyXCPLKAUSEOBURU-UHFFFAOYSA-N
XLogP19.55
TPSA92.88 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001360.65
LogP ≤ 519.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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+) 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

1-(2-Dibenzofuran-4-yl-6-propan-2-ylphenyl)-2-(4-fluorophenyl)imidazole
CID 144582835
1-(2,6-Diphenylphenyl)-2-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methylimidazol-3-ium
CID 153464537
iridium;1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156658298
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium
CID 156658655
1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156660200
3-(3H-dibenzofuran-3-id-2-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;1,7-diphenyl-3-phenyl-5-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;trimethyl-(1-phenyl-3-phenyl-7-pyridin-3-yl-2H-imidazo[4,5-b]pyridin-2-id-5-yl)silane
CID 157133461
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
bis(6-(3H-dibenzofuran-3-id-4-yl)pyrido[2,3-b]pyrazine);2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));bis(9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide);9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)
CID 157802126
1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;3-dibenzofuran-4-yl-1-methyl-3H-pyrrol-1-ium;iridium;iridium(3+);methanol;oxolane;bis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole);trifluoromethanesulfonic acid;iodide
CID 157844496
4-cyclohexyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;8-[1-(2,6-diethyl-4-methylphenyl)imidazol-2-yl]-3,4-dimethyl-2,3,4,7-tetrahydropyrano[3,2-b]pyridin-7-ide;8-[1-[2,6-dimethyl-4-(5-methylfuran-2-yl)phenyl]imidazol-2-yl]-3-methyl-4,7-dihydro-2H-1,3-benzoxazin-7-ide;pentakis(iridium);4-phenyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;4-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide
CID 158018465
4-dibenzofuran-3-yl-1-phenylpyrazole;bis(1,4-dimethyl-3-phenyl-5-(4-phenylphenyl)-2H-imidazol-2-ide);3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;bis(3-methyl-5-phenylpyrazol-1-ide);2-phenylimidazol-3-ide;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;platinum;tris(platinum(4+))
CID 158024918
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

Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is Cc1cccc(C)c1-n1cc(CCc2cc(CCc3cn(-c4c(C)cccc4C)c(-c4[c-]cc5oc6ccccc6c5c4)n3)cc(CCc3cn(-c4c(C)cccc4C)c(-c4[c-]cc5oc6ccccc6c5c4)n3)c2)nc1-c1[c-]cc2oc3ccccc3c2c1.[Ir+3].
What is the InChIKey of 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+)?
The InChIKey is XCPLKAUSEOBURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H63N6O3.Ir/c1-49-16-13-17-50(2)76(49)85-46-61(82-79(85)58-31-37-73-67(43-58)64-22-7-10-25-70(64)88-73)34-28-55-40-56(29-35-62-47-86(77-51(3)18-14-19-52(77)4)80(83-62)59-32-38-74-68(44-59)65-23-8-11-26-71(65)89-74)42-57(41-55)30-36-63-48-87(78-53(5)20-15-21-54(78)6)81(84-63)60-33-39-75-69(45-60)66-24-9-12-27-72(66)90-75;/h7-27,37-48H,28-30,34-36H2,1-6H3;/q-3;+3.
What are the key properties of 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+)?
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+) has a molecular weight of 1360.65 g/mol, XLogP of 19.55, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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+) is sourced from PubChem (CID 58059007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).