4-(3-pyridin-2-ylphenyl)benzene-1,2,3-tricarbonitrile

C20H10N4 — CID 126496802

IUPAC4-(3-pyridin-2-ylphenyl)benzene-1,2,3-tricarbonitrile
SMILESN#Cc1ccc(-c2cccc(-c3ccccn3)c2)c(C#N)c1C#N
InChIInChI=1S/C20H10N4/c21-11-16-7-8-17(19(13-23)18(16)12-22)14-4-3-5-15(10-14)20-6-1-2-9-24-20/h1-10H
InChIKeyYSNALKNLKNROBX-UHFFFAOYSA-N
MW306.33 g/mol
LogP4.03
Rot. Bonds2

About 4-(3-pyridin-2-ylphenyl)benzene-1,2,3-tricarbonitrile

4-(3-pyridin-2-ylphenyl)benzene-1,2,3-tricarbonitrile (PubChem CID 126496802) has the molecular formula C20H10N4 and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-(3-pyridin-2-ylphenyl)benzene-1,2,3-tricarbonitrile.

Molecular Properties

Compound Name4-(3-pyridin-2-ylphenyl)benzene-1,2,3-tricarbonitrile
PubChem CID126496802
Molecular FormulaC20H10N4
Molecular Weight306.33 g/mol
Exact Mass306.09
IUPAC Name4-(3-pyridin-2-ylphenyl)benzene-1,2,3-tricarbonitrile
SMILESN#Cc1ccc(-c2cccc(-c3ccccn3)c2)c(C#N)c1C#N
InChIInChI=1S/C20H10N4/c21-11-16-7-8-17(19(13-23)18(16)12-22)14-4-3-5-15(10-14)20-6-1-2-9-24-20/h1-10H
InChIKeyYSNALKNLKNROBX-UHFFFAOYSA-N
XLogP4.03
TPSA84.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3-pyridin-2-ylphenyl)benzene-1,2,3-tricarbonitrile 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-(3-pyridin-2-ylphenyl)benzene-1,3-dicarbonitrile
CID 126496742
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
3-phenyl-5-(3-pyridin-2-ylphenyl)benzonitrile
CID 90393137
2-methyl-4-phenyl-3-pyridin-2-ylbenzonitrile
CID 156678731
2-benzyl-4-pyridin-2-ylbenzonitrile
CID 162707729
2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 122426506
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434547
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
CID 130326866
2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 71534257
2-[3-[2,5-diphenyl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]pyridine
CID 139253750

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-2-ylphenyl)benzene-1,2,3-tricarbonitrile?
The IUPAC name of 4-(3-pyridin-2-ylphenyl)benzene-1,2,3-tricarbonitrile (CID 126496802) is 4-(3-pyridin-2-ylphenyl)benzene-1,2,3-tricarbonitrile.
What is the SMILES notation for 4-(3-pyridin-2-ylphenyl)benzene-1,2,3-tricarbonitrile?
The canonical SMILES for 4-(3-pyridin-2-ylphenyl)benzene-1,2,3-tricarbonitrile is N#Cc1ccc(-c2cccc(-c3ccccn3)c2)c(C#N)c1C#N.
What is the InChIKey of 4-(3-pyridin-2-ylphenyl)benzene-1,2,3-tricarbonitrile?
The InChIKey is YSNALKNLKNROBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10N4/c21-11-16-7-8-17(19(13-23)18(16)12-22)14-4-3-5-15(10-14)20-6-1-2-9-24-20/h1-10H.
What are the key properties of 4-(3-pyridin-2-ylphenyl)benzene-1,2,3-tricarbonitrile?
4-(3-pyridin-2-ylphenyl)benzene-1,2,3-tricarbonitrile has a molecular weight of 306.33 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridin-2-ylphenyl)benzene-1,2,3-tricarbonitrile is sourced from PubChem (CID 126496802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).