5-(2-phenylphenyl)benzene-1,3-dicarbonitrile

C20H12N2 — CID 126496791

IUPAC5-(2-phenylphenyl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C20H12N2/c21-13-15-10-16(14-22)12-18(11-15)20-9-5-4-8-19(20)17-6-2-1-3-7-17/h1-12H
InChIKeyDWAGSFRSZUVNKQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.76
Rot. Bonds2

About 5-(2-phenylphenyl)benzene-1,3-dicarbonitrile

5-(2-phenylphenyl)benzene-1,3-dicarbonitrile (PubChem CID 126496791) has the molecular formula C20H12N2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-(2-phenylphenyl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-(2-phenylphenyl)benzene-1,3-dicarbonitrile
PubChem CID126496791
Molecular FormulaC20H12N2
Molecular Weight280.33 g/mol
Exact Mass280.10
IUPAC Name5-(2-phenylphenyl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C20H12N2/c21-13-15-10-16(14-22)12-18(11-15)20-9-5-4-8-19(20)17-6-2-1-3-7-17/h1-12H
InChIKeyDWAGSFRSZUVNKQ-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

2-(2-phenylphenyl)benzene-1,4-dicarbonitrile
CID 126496747
1-ethynyl-3,5-bis(2-phenylphenyl)benzene
CID 156748515
5-[4-(3,5-dicyanophenyl)anthracen-1-yl]benzene-1,3-dicarbonitrile
CID 177469276
3-[3-[4-phenyl-6-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 174364340
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzene-1,3-dicarbonitrile
CID 165099707
3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile
CID 134317886
4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-2,6-diphenylbenzonitrile
CID 176994414
5-(9H-fluoren-1-yl)benzene-1,3-dicarbonitrile
CID 172779632
2-[2-cyano-3-(2-phenylphenyl)phenyl]-6-(2-phenylphenyl)benzonitrile
CID 58954300
4-[6-(3-cyanophenyl)dibenzofuran-4-yl]-2,6-diphenylbenzonitrile
CID 176994431
3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-5-(4-methylphenyl)benzonitrile
CID 145448507
4-(2-phenylphenyl)-3-(trifluoromethyl)benzonitrile
CID 138675545

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylphenyl)benzene-1,3-dicarbonitrile?
The IUPAC name of 5-(2-phenylphenyl)benzene-1,3-dicarbonitrile (CID 126496791) is 5-(2-phenylphenyl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-(2-phenylphenyl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-(2-phenylphenyl)benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2ccccc2-c2ccccc2)c1.
What is the InChIKey of 5-(2-phenylphenyl)benzene-1,3-dicarbonitrile?
The InChIKey is DWAGSFRSZUVNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2/c21-13-15-10-16(14-22)12-18(11-15)20-9-5-4-8-19(20)17-6-2-1-3-7-17/h1-12H.
What are the key properties of 5-(2-phenylphenyl)benzene-1,3-dicarbonitrile?
5-(2-phenylphenyl)benzene-1,3-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 5-(2-phenylphenyl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 126496791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).