1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;iridium;1-phenyl-3-[3-(1-phenyl-2,3-dihydropyrrol-2-id-3-yl)propyl]-2H-imidazol-2-ide

About 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;iridium;1-phenyl-3-[3-(1-phenyl-2,3-dihydropyrrol-2-id-3-yl)propyl]-2H-imidazol-2-ide

1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;iridium;1-phenyl-3-[3-(1-phenyl-2,3-dihydropyrrol-2-id-3-yl)propyl]-2H-imidazol-2-ide (PubChem CID 162697164) has the molecular formula C38H33IrN5O-6 and a molecular weight of 767.93 g/mol. Its IUPAC name is 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;iridium;1-phenyl-3-[3-(1-phenyl-2,3-dihydropyrrol-2-id-3-yl)propyl]-2H-imidazol-2-ide.

Molecular Properties

Compound Name	1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;iridium;1-phenyl-3-[3-(1-phenyl-2,3-dihydropyrrol-2-id-3-yl)propyl]-2H-imidazol-2-ide
PubChem CID	162697164
Molecular Formula	C38H33IrN5O-6
Molecular Weight	767.93 g/mol
Exact Mass	768.23
IUPAC Name	1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;iridium;1-phenyl-3-[3-(1-phenyl-2,3-dihydropyrrol-2-id-3-yl)propyl]-2H-imidazol-2-ide
SMILES	CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.[Ir].[c-]1ccccc1N1C=CC(CCCN2C=CN(c3[c-]cccc3)[CH-]2)[CH-]1
InChI	InChI=1S/C22H21N3.C16H12N2O.Ir/c1-3-9-21(10-4-1)24-15-13-20(18-24)8-7-14-23-16-17-25(19-23)22-11-5-2-6-12-22;1-17-9-10-18(11-17)14-7-4-6-13-12-5-2-3-8-15(12)19-16(13)14;/h1-6,9,11,13,15-20H,7-8,14H2;2-6,8-11H,1H3;/q-4;-2;
InChIKey	MUAVTPHRKZFJKW-UHFFFAOYSA-N
XLogP	8.32
TPSA	29.34 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	45
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.93
LogP ≤ 5	8.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;iridium;1-phenyl-3-[3-(1-phenyl-2,3-dihydropyrrol-2-id-3-yl)propyl]-2H-imidazol-2-ide?

The IUPAC name of 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;iridium;1-phenyl-3-[3-(1-phenyl-2,3-dihydropyrrol-2-id-3-yl)propyl]-2H-imidazol-2-ide (CID 162697164) is 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;iridium;1-phenyl-3-[3-(1-phenyl-2,3-dihydropyrrol-2-id-3-yl)propyl]-2H-imidazol-2-ide.

What is the SMILES notation for 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;iridium;1-phenyl-3-[3-(1-phenyl-2,3-dihydropyrrol-2-id-3-yl)propyl]-2H-imidazol-2-ide?

The canonical SMILES for 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;iridium;1-phenyl-3-[3-(1-phenyl-2,3-dihydropyrrol-2-id-3-yl)propyl]-2H-imidazol-2-ide is CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.[Ir].[c-]1ccccc1N1C=CC(CCCN2C=CN(c3[c-]cccc3)[CH-]2)[CH-]1.

What is the InChIKey of 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;iridium;1-phenyl-3-[3-(1-phenyl-2,3-dihydropyrrol-2-id-3-yl)propyl]-2H-imidazol-2-ide?

The InChIKey is MUAVTPHRKZFJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3.C16H12N2O.Ir/c1-3-9-21(10-4-1)24-15-13-20(18-24)8-7-14-23-16-17-25(19-23)22-11-5-2-6-12-22;1-17-9-10-18(11-17)14-7-4-6-13-12-5-2-3-8-15(12)19-16(13)14;/h1-6,9,11,13,15-20H,7-8,14H2;2-6,8-11H,1H3;/q-4;-2;.

What are the key properties of 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;iridium;1-phenyl-3-[3-(1-phenyl-2,3-dihydropyrrol-2-id-3-yl)propyl]-2H-imidazol-2-ide?

1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;iridium;1-phenyl-3-[3-(1-phenyl-2,3-dihydropyrrol-2-id-3-yl)propyl]-2H-imidazol-2-ide has a molecular weight of 767.93 g/mol, XLogP of 8.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;iridium;1-phenyl-3-[3-(1-phenyl-2,3-dihydropyrrol-2-id-3-yl)propyl]-2H-imidazol-2-ide is sourced from PubChem (CID 162697164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).