2-(4-phenylphenyl)-1-benzofuran-5-carbonitrile

C21H13NO — CID 135058554

IUPAC2-(4-phenylphenyl)-1-benzofuran-5-carbonitrile
SMILESN#Cc1ccc2oc(-c3ccc(-c4ccccc4)cc3)cc2c1
InChIInChI=1S/C21H13NO/c22-14-15-6-11-20-19(12-15)13-21(23-20)18-9-7-17(8-10-18)16-4-2-1-3-5-16/h1-13H
InChIKeyIPUBFMONASFKAV-UHFFFAOYSA-N
MW295.34 g/mol
LogP5.64
Rot. Bonds2

About 2-(4-phenylphenyl)-1-benzofuran-5-carbonitrile

2-(4-phenylphenyl)-1-benzofuran-5-carbonitrile (PubChem CID 135058554) has the molecular formula C21H13NO and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-1-benzofuran-5-carbonitrile.

Molecular Properties

Compound Name2-(4-phenylphenyl)-1-benzofuran-5-carbonitrile
PubChem CID135058554
Molecular FormulaC21H13NO
Molecular Weight295.34 g/mol
Exact Mass295.10
IUPAC Name2-(4-phenylphenyl)-1-benzofuran-5-carbonitrile
SMILESN#Cc1ccc2oc(-c3ccc(-c4ccccc4)cc3)cc2c1
InChIInChI=1S/C21H13NO/c22-14-15-6-11-20-19(12-15)13-21(23-20)18-9-7-17(8-10-18)16-4-2-1-3-5-16/h1-13H
InChIKeyIPUBFMONASFKAV-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

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Related Compounds

3-(1-benzofuran-2-yl)benzonitrile
CID 12624585
2-(4-methoxyphenyl)-5-phenyl-1-benzofuran
CID 66549379
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
2-chloro-1-benzofuran-5-carbonitrile
CID 54043568
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzonitrile
CID 139522713
hydrazine;(2-phenyl-1-benzofuran-5-yl)hydrazine
CID 178170434
5-phenyl-2-[4-[2-[4-(5-phenyl-1-benzofuran-2-yl)phenyl]-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]phenyl]-1-benzofuran
CID 138646490
7-[3-(4-cyanophenyl)-5-(4-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile
CID 176994445
7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
CID 139522762
4-[4-(3-dibenzofuran-2-yl-5,6-diphenylpyrazin-2-yl)phenyl]benzonitrile
CID 156509421
4-[2-(3-chlorophenyl)-5-phenylfuran-3-yl]benzonitrile
CID 53349735
6-methyl-2-(4-phenylphenyl)-1-benzofuran
CID 21446826

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-1-benzofuran-5-carbonitrile?
The IUPAC name of 2-(4-phenylphenyl)-1-benzofuran-5-carbonitrile (CID 135058554) is 2-(4-phenylphenyl)-1-benzofuran-5-carbonitrile.
What is the SMILES notation for 2-(4-phenylphenyl)-1-benzofuran-5-carbonitrile?
The canonical SMILES for 2-(4-phenylphenyl)-1-benzofuran-5-carbonitrile is N#Cc1ccc2oc(-c3ccc(-c4ccccc4)cc3)cc2c1.
What is the InChIKey of 2-(4-phenylphenyl)-1-benzofuran-5-carbonitrile?
The InChIKey is IPUBFMONASFKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO/c22-14-15-6-11-20-19(12-15)13-21(23-20)18-9-7-17(8-10-18)16-4-2-1-3-5-16/h1-13H.
What are the key properties of 2-(4-phenylphenyl)-1-benzofuran-5-carbonitrile?
2-(4-phenylphenyl)-1-benzofuran-5-carbonitrile 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-(4-phenylphenyl)-1-benzofuran-5-carbonitrile is sourced from PubChem (CID 135058554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).