2-(2-phenyl-1-benzofuran-3-yl)benzonitrile

C21H13NO — CID 154714478

IUPAC2-(2-phenyl-1-benzofuran-3-yl)benzonitrile
SMILESN#Cc1ccccc1-c1c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C21H13NO/c22-14-16-10-4-5-11-17(16)20-18-12-6-7-13-19(18)23-21(20)15-8-2-1-3-9-15/h1-13H
InChIKeyHGRTYWGTSIAVOF-UHFFFAOYSA-N
MW295.34 g/mol
LogP5.64
Rot. Bonds2

About 2-(2-phenyl-1-benzofuran-3-yl)benzonitrile

2-(2-phenyl-1-benzofuran-3-yl)benzonitrile (PubChem CID 154714478) has the molecular formula C21H13NO and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(2-phenyl-1-benzofuran-3-yl)benzonitrile.

Molecular Properties

Compound Name2-(2-phenyl-1-benzofuran-3-yl)benzonitrile
PubChem CID154714478
Molecular FormulaC21H13NO
Molecular Weight295.34 g/mol
Exact Mass295.10
IUPAC Name2-(2-phenyl-1-benzofuran-3-yl)benzonitrile
SMILESN#Cc1ccccc1-c1c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C21H13NO/c22-14-16-10-4-5-11-17(16)20-18-12-6-7-13-19(18)23-21(20)15-8-2-1-3-9-15/h1-13H
InChIKeyHGRTYWGTSIAVOF-UHFFFAOYSA-N
XLogP5.64
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.34
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-phenyl-1-benzofuran-3-yl)benzonitrile 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-(10-dibenzofuran-2-ylanthracen-9-yl)benzonitrile
CID 170374738
1-(2-phenyl-1-benzofuran-3-yl)-3-(2-phenylphenyl)-2-benzofuran
CID 156552693
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran
CID 121336223
2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile
CID 146353689
2-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile
CID 146355346
2-(2-cyanophenyl)-3,6-di(dibenzofuran-2-yl)benzonitrile
CID 146354517
2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid
CID 70599531
3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile
CID 146354418
2,3-bis(4-fluorophenyl)-1-benzofuran
CID 71732324
4-[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]phenol
CID 139612412
6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile
CID 146353713
2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzonitrile
CID 139381776

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1-benzofuran-3-yl)benzonitrile?
The IUPAC name of 2-(2-phenyl-1-benzofuran-3-yl)benzonitrile (CID 154714478) is 2-(2-phenyl-1-benzofuran-3-yl)benzonitrile.
What is the SMILES notation for 2-(2-phenyl-1-benzofuran-3-yl)benzonitrile?
The canonical SMILES for 2-(2-phenyl-1-benzofuran-3-yl)benzonitrile is N#Cc1ccccc1-c1c(-c2ccccc2)oc2ccccc12.
What is the InChIKey of 2-(2-phenyl-1-benzofuran-3-yl)benzonitrile?
The InChIKey is HGRTYWGTSIAVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO/c22-14-16-10-4-5-11-17(16)20-18-12-6-7-13-19(18)23-21(20)15-8-2-1-3-9-15/h1-13H.
What are the key properties of 2-(2-phenyl-1-benzofuran-3-yl)benzonitrile?
2-(2-phenyl-1-benzofuran-3-yl)benzonitrile has a molecular weight of 295.34 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1-benzofuran-3-yl)benzonitrile is sourced from PubChem (CID 154714478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).