2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)imidazole;iridium

C33H21IrN2O- — CID 58947482

IUPAC2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)imidazole;iridium
SMILES[Ir].[c-]1cc2oc3ccccc3c2cc1-c1nccn1-c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C33H21N2O.Ir/c1-3-10-23(11-4-1)26-15-9-16-27(24-12-5-2-6-13-24)32(26)35-21-20-34-33(35)25-18-19-31-29(22-25)28-14-7-8-17-30(28)36-31;/h1-17,19-22H;/q-1;
InChIKeyPRWXVZGLERTKFJ-UHFFFAOYSA-N
MW653.76 g/mol
LogP8.57
Rot. Bonds4

About 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)imidazole;iridium

2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)imidazole;iridium (PubChem CID 58947482) has the molecular formula C33H21IrN2O- and a molecular weight of 653.76 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)imidazole;iridium.

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)imidazole;iridium
PubChem CID58947482
Molecular FormulaC33H21IrN2O-
Molecular Weight653.76 g/mol
Exact Mass654.13
IUPAC Name2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)imidazole;iridium
SMILES[Ir].[c-]1cc2oc3ccccc3c2cc1-c1nccn1-c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C33H21N2O.Ir/c1-3-10-23(11-4-1)26-15-9-16-27(24-12-5-2-6-13-24)32(26)35-21-20-34-33(35)25-18-19-31-29(22-25)28-14-7-8-17-30(28)36-31;/h1-17,19-22H;/q-1;
InChIKeyPRWXVZGLERTKFJ-UHFFFAOYSA-N
XLogP8.57
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.76
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)imidazole;iridium;2-phenylpyridine
CID 166010889
2-(3,6-dihydro-2H-1-benzofuran-6-id-5-yl)-1-(2-methyl-6-phenylphenyl)imidazole;iridium
CID 58947574
1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-2-(3H-dibenzofuran-3-id-2-yl)imidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dicyclohexyl-4-phenylphenyl)imidazole;1-(2,6-dicyclopentyl-4-phenylphenyl)-2-(4-phenylbenzene-6-id-1-yl)imidazole;tris(iridium)
CID 158336027
1-dibenzofuran-1-yl-2-phenylimidazole
CID 58400945
4-(1,2-dihydroimidazol-2-id-3-yl)-2-[2-[3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]ethyl]dibenzofuran-3-ol;platinum(2+)
CID 168843935
2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;iridium
CID 58183919
1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole
CID 164760359
2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500159
1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;iridium
CID 58400868
2,3-diphenyldibenzofuran
CID 12699263
2-[1-(2,6-diphenylphenyl)-4-(3-isoquinolin-3-ylphenyl)imidazol-2-yl]dibenzofuran-3-ol
CID 171420085
2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-dibenzofuran-3-ylpyridine;iridium(3+)
CID 153457928

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)imidazole;iridium?
The IUPAC name of 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)imidazole;iridium (CID 58947482) is 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)imidazole;iridium.
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)imidazole;iridium?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)imidazole;iridium is [Ir].[c-]1cc2oc3ccccc3c2cc1-c1nccn1-c1c(-c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)imidazole;iridium?
The InChIKey is PRWXVZGLERTKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N2O.Ir/c1-3-10-23(11-4-1)26-15-9-16-27(24-12-5-2-6-13-24)32(26)35-21-20-34-33(35)25-18-19-31-29(22-25)28-14-7-8-17-30(28)36-31;/h1-17,19-22H;/q-1;.
What are the key properties of 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)imidazole;iridium?
2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)imidazole;iridium has a molecular weight of 653.76 g/mol, XLogP of 8.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)imidazole;iridium is sourced from PubChem (CID 58947482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).