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

C33H29IrN2O- — CID 58175641

IUPAC1-[4-dibenzofuran-2-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium
SMILESCC(C)c1cc(-c2ccc3oc4ccccc4c3c2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.[Ir]
InChIInChI=1S/C33H29N2O.Ir/c1-21(2)27-19-25(24-14-15-31-29(18-24)26-12-8-9-13-30(26)36-31)20-28(22(3)4)32(27)35-17-16-34-33(35)23-10-6-5-7-11-23;/h5-10,12-22H,1-4H3;/q-1;
InChIKeySQPWLVXNBCHMNL-UHFFFAOYSA-N
MW661.83 g/mol
LogP9.15
Rot. Bonds5

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

1-[4-dibenzofuran-2-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium (PubChem CID 58175641) has the molecular formula C33H29IrN2O- and a molecular weight of 661.83 g/mol. Its IUPAC name is 1-[4-dibenzofuran-2-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium.

Molecular Properties

Compound Name1-[4-dibenzofuran-2-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium
PubChem CID58175641
Molecular FormulaC33H29IrN2O-
Molecular Weight661.83 g/mol
Exact Mass662.19
IUPAC Name1-[4-dibenzofuran-2-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium
SMILESCC(C)c1cc(-c2ccc3oc4ccccc4c3c2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.[Ir]
InChIInChI=1S/C33H29N2O.Ir/c1-21(2)27-19-25(24-14-15-31-29(18-24)26-12-8-9-13-30(26)36-31)20-28(22(3)4)32(27)35-17-16-34-33(35)23-10-6-5-7-11-23;/h5-10,12-22H,1-4H3;/q-1;
InChIKeySQPWLVXNBCHMNL-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'}

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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-(1-dibenzofuran-2-ylethyl)-2-methylimidazol-1-ium iodide
CID 72205635
2-[3-(1-Dibenzofuran-2-ylethyl)-2-methylimidazol-1-ium-1-yl]-1-phenylethanone bromide
CID 72205639
1-Butyl-3-[dibenzofuran-2-yl(phenyl)methyl]imidazol-1-ium iodide
CID 72206198
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-dibenzofuran-2-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium?
The IUPAC name of 1-[4-dibenzofuran-2-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium (CID 58175641) is 1-[4-dibenzofuran-2-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium.
What is the SMILES notation for 1-[4-dibenzofuran-2-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium?
The canonical SMILES for 1-[4-dibenzofuran-2-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium is CC(C)c1cc(-c2ccc3oc4ccccc4c3c2)cc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.[Ir].
What is the InChIKey of 1-[4-dibenzofuran-2-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium?
The InChIKey is SQPWLVXNBCHMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N2O.Ir/c1-21(2)27-19-25(24-14-15-31-29(18-24)26-12-8-9-13-30(26)36-31)20-28(22(3)4)32(27)35-17-16-34-33(35)23-10-6-5-7-11-23;/h5-10,12-22H,1-4H3;/q-1;.
What are the key properties of 1-[4-dibenzofuran-2-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium?
1-[4-dibenzofuran-2-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-2-yl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium is sourced from PubChem (CID 58175641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).