2-(2-phenylphenyl)benzene-1,4-dicarbonitrile

C20H12N2 — CID 126496747

IUPAC2-(2-phenylphenyl)benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C20H12N2/c21-13-15-10-11-17(14-22)20(12-15)19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-12H
InChIKeyWFRCYIZMQZHPAD-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.76
Rot. Bonds2

About 2-(2-phenylphenyl)benzene-1,4-dicarbonitrile

2-(2-phenylphenyl)benzene-1,4-dicarbonitrile (PubChem CID 126496747) has the molecular formula C20H12N2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(2-phenylphenyl)benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-(2-phenylphenyl)benzene-1,4-dicarbonitrile
PubChem CID126496747
Molecular FormulaC20H12N2
Molecular Weight280.33 g/mol
Exact Mass280.10
IUPAC Name2-(2-phenylphenyl)benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C20H12N2/c21-13-15-10-11-17(14-22)20(12-15)19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-12H
InChIKeyWFRCYIZMQZHPAD-UHFFFAOYSA-N
XLogP4.76
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-phenylphenyl)benzene-1,3-dicarbonitrile
CID 126496791
4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 169297037
3-[5-isocyano-2-(2-phenylphenyl)phenyl]-4-(2-phenylphenyl)benzonitrile
CID 58947599
4-fluoro-3-phenylbenzonitrile
CID 46314741
2-(4-carbazol-9-yl-2,5-diphenylphenyl)benzene-1,4-dicarbonitrile
CID 140903311
4-(2-phenylphenyl)-3-(trifluoromethyl)benzonitrile
CID 138675545
2-[4-cyano-3-[4-cyano-3-[4-cyano-3-[4-cyano-3-(4-cyano-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzonitrile
CID 100933714
2-[2-(3-cyanophenyl)-4,5-bis(4-cyanophenyl)-3,6-diphenylphenyl]benzonitrile
CID 176917660
4-hydroxy-2-phenylbenzonitrile
CID 66882443
4-tert-butyl-3-phenylbenzonitrile
CID 90264086
4-(4-ethylphenyl)-3-phenylbenzonitrile
CID 46864016
4-[2-[4-cyano-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 170299696

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylphenyl)benzene-1,4-dicarbonitrile?
The IUPAC name of 2-(2-phenylphenyl)benzene-1,4-dicarbonitrile (CID 126496747) is 2-(2-phenylphenyl)benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-(2-phenylphenyl)benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-(2-phenylphenyl)benzene-1,4-dicarbonitrile is N#Cc1ccc(C#N)c(-c2ccccc2-c2ccccc2)c1.
What is the InChIKey of 2-(2-phenylphenyl)benzene-1,4-dicarbonitrile?
The InChIKey is WFRCYIZMQZHPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2/c21-13-15-10-11-17(14-22)20(12-15)19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-12H.
What are the key properties of 2-(2-phenylphenyl)benzene-1,4-dicarbonitrile?
2-(2-phenylphenyl)benzene-1,4-dicarbonitrile has a molecular weight of 280.33 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylphenyl)benzene-1,4-dicarbonitrile is sourced from PubChem (CID 126496747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).