2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium

C23H14IrNO- — CID 171576776

IUPAC2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium
SMILES[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C23H14NO.Ir/c1-2-7-16(8-3-1)17-13-14-24-21(15-17)20-11-6-10-19-18-9-4-5-12-22(18)25-23(19)20;/h1-10,12-15H;/q-1;
InChIKeyWXRHXUNHQKLZBF-UHFFFAOYSA-N
MW512.59 g/mol
LogP6.11
Rot. Bonds2

About 2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium

2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium (PubChem CID 171576776) has the molecular formula C23H14IrNO- and a molecular weight of 512.59 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium.

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium
PubChem CID171576776
Molecular FormulaC23H14IrNO-
Molecular Weight512.59 g/mol
Exact Mass513.07
IUPAC Name2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium
SMILES[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C23H14NO.Ir/c1-2-7-16(8-3-1)17-13-14-24-21(15-17)20-11-6-10-19-18-9-4-5-12-22(18)25-23(19)20;/h1-10,12-15H;/q-1;
InChIKeyWXRHXUNHQKLZBF-UHFFFAOYSA-N
XLogP6.11
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.59
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;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

2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium;2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 156686685
tris(2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine);iridium(3+)
CID 171576778
2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium;5-methyl-2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine
CID 156686759
4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium
CID 167425271
2-(3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium
CID 162710192
2-(3H-dibenzofuran-3-id-4-yl)-4-[dideuterio(phenyl)methyl]pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium
CID 177279388
iridium;4-methyl-2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 156686775
2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;4-(2,2-dimethylpropyl)-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;iridium
CID 164712125
2-(3H-dibenzofuran-3-id-4-yl)-6-[3-[6-(3H-dibenzofuran-3-id-4-yl)-2-pyridinyl]phenyl]pyridine;platinum(2+)
CID 159576049
4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;iridium;4-pyridin-2-yl-3H-xanthen-3-id-9-one
CID 171590578
CID 166044115
CID 166044115
carbanide;iridium;2-phenylpyridine;6-pyridin-2-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide
CID 140806253

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium?
The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium (CID 171576776) is 2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium.
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium is [Ir].[c-]1ccc2c(oc3ccccc32)c1-c1cc(-c2ccccc2)ccn1.
What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium?
The InChIKey is WXRHXUNHQKLZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14NO.Ir/c1-2-7-16(8-3-1)17-13-14-24-21(15-17)20-11-6-10-19-18-9-4-5-12-22(18)25-23(19)20;/h1-10,12-15H;/q-1;.
What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium?
2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium has a molecular weight of 512.59 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium is sourced from PubChem (CID 171576776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).