1-[4-dibenzofuran-4-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium

C33H29IrN2O- — CID 58175635

IUPAC1-[4-dibenzofuran-4-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium
SMILESCC(C)c1cc(-c2cccc3c2oc2ccccc23)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.[Ir]
InChIInChI=1S/C33H29N2O.Ir/c1-21(2)28-19-24(25-14-10-15-27-26-13-8-9-16-30(26)36-32(25)27)20-29(22(3)4)31(28)35-18-17-34-33(35)23-11-6-5-7-12-23;/h5-11,13-22H,1-4H3;/q-1;
InChIKeyWRFUXBMIXPACIX-UHFFFAOYSA-N
MW661.83 g/mol
LogP9.15
Rot. Bonds5

About 1-[4-dibenzofuran-4-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium

1-[4-dibenzofuran-4-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium (PubChem CID 58175635) has the molecular formula C33H29IrN2O- and a molecular weight of 661.83 g/mol. Its IUPAC name is 1-[4-dibenzofuran-4-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium.

Molecular Properties

Compound Name1-[4-dibenzofuran-4-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium
PubChem CID58175635
Molecular FormulaC33H29IrN2O-
Molecular Weight661.83 g/mol
Exact Mass662.19
IUPAC Name1-[4-dibenzofuran-4-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium
SMILESCC(C)c1cc(-c2cccc3c2oc2ccccc23)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.[Ir]
InChIInChI=1S/C33H29N2O.Ir/c1-21(2)28-19-24(25-14-10-15-27-26-13-8-9-16-30(26)36-32(25)27)20-29(22(3)4)31(28)35-18-17-34-33(35)23-11-6-5-7-12-23;/h5-11,13-22H,1-4H3;/q-1;
InChIKeyWRFUXBMIXPACIX-UHFFFAOYSA-N
XLogP9.15
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.83
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-dibenzofuran-4-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium 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

5-Dibenzofuran-4-ylimidazo[1,2-a]pyridine
CID 46942625
6-Dibenzofuran-4-ylimidazo[1,2-a]pyridine
CID 46942694
2-[3-[4-(1-Benzofuran-2-yl)phenyl]imidazol-1-ium-1-yl]-1-naphthalen-2-ylethanone bromide
CID 57404426
2-[3-[4-(1-Benzofuran-2-yl)phenyl]imidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide
CID 70683381
1-[4-(1-Benzofuran-2-yl)phenyl]-3-benzylimidazol-3-ium bromide
CID 70685479
2-[3-[4-(1-Benzofuran-2-yl)phenyl]imidazol-1-ium-1-yl]-1-phenylethanone bromide
CID 70685481
2-[3-[4-(1-Benzofuran-2-yl)phenyl]imidazol-1-ium-1-yl]-1,2-diphenylethanone bromide
CID 70689692
1-Butyl-3-[dibenzofuran-2-yl(phenyl)methyl]-2-methylimidazol-1-ium iodide
CID 72206557
1-[Dibenzofuran-2-yl(phenyl)methyl]-2-methyl-3-[(4-nitrophenyl)methyl]imidazol-3-ium bromide
CID 72206559
1-[4-(1-Benzofuran-2-yl)phenyl]imidazole
CID 70689689
2-[3-[4-(1-Benzofuran-2-yl)phenyl]imidazol-1-ium-1-yl]-1-(4-fluorophenyl)ethanone bromide
CID 70689690
1-[4-(1-Benzofuran-2-yl)phenyl]-3-butylimidazol-3-ium iodide
CID 70691824

Frequently Asked Questions

What is the IUPAC name of 1-[4-dibenzofuran-4-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium?
The IUPAC name of 1-[4-dibenzofuran-4-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium (CID 58175635) is 1-[4-dibenzofuran-4-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium.
What is the SMILES notation for 1-[4-dibenzofuran-4-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium?
The canonical SMILES for 1-[4-dibenzofuran-4-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium is CC(C)c1cc(-c2cccc3c2oc2ccccc23)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.[Ir].
What is the InChIKey of 1-[4-dibenzofuran-4-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium?
The InChIKey is WRFUXBMIXPACIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N2O.Ir/c1-21(2)28-19-24(25-14-10-15-27-26-13-8-9-16-30(26)36-32(25)27)20-29(22(3)4)31(28)35-18-17-34-33(35)23-11-6-5-7-12-23;/h5-11,13-22H,1-4H3;/q-1;.
What are the key properties of 1-[4-dibenzofuran-4-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium?
1-[4-dibenzofuran-4-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium has a molecular weight of 661.83 g/mol, XLogP of 9.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-dibenzofuran-4-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium is sourced from PubChem (CID 58175635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).