4-[4-(furan-2-yl)-6-phenyl-2-pyridinyl]benzonitrile

C22H14N2O — CID 122366103

IUPAC4-[4-(furan-2-yl)-6-phenyl-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccco3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H14N2O/c23-15-16-8-10-18(11-9-16)21-14-19(22-7-4-12-25-22)13-20(24-21)17-5-2-1-3-6-17/h1-14H
InChIKeyLWYPPOLIBFZDAG-UHFFFAOYSA-N
MW322.37 g/mol
LogP5.55
Rot. Bonds3

About 4-[4-(furan-2-yl)-6-phenyl-2-pyridinyl]benzonitrile

4-[4-(furan-2-yl)-6-phenyl-2-pyridinyl]benzonitrile (PubChem CID 122366103) has the molecular formula C22H14N2O and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-[4-(furan-2-yl)-6-phenyl-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(furan-2-yl)-6-phenyl-2-pyridinyl]benzonitrile
PubChem CID122366103
Molecular FormulaC22H14N2O
Molecular Weight322.37 g/mol
Exact Mass322.11
IUPAC Name4-[4-(furan-2-yl)-6-phenyl-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccco3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H14N2O/c23-15-16-8-10-18(11-9-16)21-14-19(22-7-4-12-25-22)13-20(24-21)17-5-2-1-3-6-17/h1-14H
InChIKeyLWYPPOLIBFZDAG-UHFFFAOYSA-N
XLogP5.55
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.37
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[4-(furan-2-yl)-6-phenyl-2-pyridinyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-yl)-6-phenyl-2-pyridinyl]benzonitrile?
The IUPAC name of 4-[4-(furan-2-yl)-6-phenyl-2-pyridinyl]benzonitrile (CID 122366103) is 4-[4-(furan-2-yl)-6-phenyl-2-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[4-(furan-2-yl)-6-phenyl-2-pyridinyl]benzonitrile?
The canonical SMILES for 4-[4-(furan-2-yl)-6-phenyl-2-pyridinyl]benzonitrile is N#Cc1ccc(-c2cc(-c3ccco3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[4-(furan-2-yl)-6-phenyl-2-pyridinyl]benzonitrile?
The InChIKey is LWYPPOLIBFZDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O/c23-15-16-8-10-18(11-9-16)21-14-19(22-7-4-12-25-22)13-20(24-21)17-5-2-1-3-6-17/h1-14H.
What are the key properties of 4-[4-(furan-2-yl)-6-phenyl-2-pyridinyl]benzonitrile?
4-[4-(furan-2-yl)-6-phenyl-2-pyridinyl]benzonitrile has a molecular weight of 322.37 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-yl)-6-phenyl-2-pyridinyl]benzonitrile is sourced from PubChem (CID 122366103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).