3-[4-(3-cyanophenyl)phenyl]benzonitrile

C20H12N2 — CID 15785121

IUPAC3-[4-(3-cyanophenyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(-c3cccc(C#N)c3)cc2)c1
InChIInChI=1S/C20H12N2/c21-13-15-3-1-5-19(11-15)17-7-9-18(10-8-17)20-6-2-4-16(12-20)14-22/h1-12H
InChIKeyNDIKBMVCXUSVIJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.76
Rot. Bonds2

About 3-[4-(3-cyanophenyl)phenyl]benzonitrile

3-[4-(3-cyanophenyl)phenyl]benzonitrile (PubChem CID 15785121) has the molecular formula C20H12N2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[4-(3-cyanophenyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[4-(3-cyanophenyl)phenyl]benzonitrile
PubChem CID15785121
Molecular FormulaC20H12N2
Molecular Weight280.33 g/mol
Exact Mass280.10
IUPAC Name3-[4-(3-cyanophenyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(-c3cccc(C#N)c3)cc2)c1
InChIInChI=1S/C20H12N2/c21-13-15-3-1-5-19(11-15)17-7-9-18(10-8-17)20-6-2-4-16(12-20)14-22/h1-12H
InChIKeyNDIKBMVCXUSVIJ-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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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-cyanophenyl)phenyl]benzonitrile?
The IUPAC name of 3-[4-(3-cyanophenyl)phenyl]benzonitrile (CID 15785121) is 3-[4-(3-cyanophenyl)phenyl]benzonitrile.
What is the SMILES notation for 3-[4-(3-cyanophenyl)phenyl]benzonitrile?
The canonical SMILES for 3-[4-(3-cyanophenyl)phenyl]benzonitrile is N#Cc1cccc(-c2ccc(-c3cccc(C#N)c3)cc2)c1.
What is the InChIKey of 3-[4-(3-cyanophenyl)phenyl]benzonitrile?
The InChIKey is NDIKBMVCXUSVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2/c21-13-15-3-1-5-19(11-15)17-7-9-18(10-8-17)20-6-2-4-16(12-20)14-22/h1-12H.
What are the key properties of 3-[4-(3-cyanophenyl)phenyl]benzonitrile?
3-[4-(3-cyanophenyl)phenyl]benzonitrile 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 3-[4-(3-cyanophenyl)phenyl]benzonitrile is sourced from PubChem (CID 15785121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).