3-(2,4-diphenylbenzo[h]quinolin-6-yl)benzonitrile

C32H20N2 — CID 70959604

IUPAC3-(2,4-diphenylbenzo[h]quinolin-6-yl)benzonitrile
SMILESN#Cc1cccc(-c2cc3c(-c4ccccc4)cc(-c4ccccc4)nc3c3ccccc23)c1
InChIInChI=1S/C32H20N2/c33-21-22-10-9-15-25(18-22)28-19-30-29(23-11-3-1-4-12-23)20-31(24-13-5-2-6-14-24)34-32(30)27-17-8-7-16-26(27)28/h1-20H
InChIKeyPUNHRXSHXRZMLU-UHFFFAOYSA-N
MW432.53 g/mol
LogP8.26
Rot. Bonds3

About 3-(2,4-diphenylbenzo[h]quinolin-6-yl)benzonitrile

3-(2,4-diphenylbenzo[h]quinolin-6-yl)benzonitrile (PubChem CID 70959604) has the molecular formula C32H20N2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 3-(2,4-diphenylbenzo[h]quinolin-6-yl)benzonitrile.

Molecular Properties

Compound Name3-(2,4-diphenylbenzo[h]quinolin-6-yl)benzonitrile
PubChem CID70959604
Molecular FormulaC32H20N2
Molecular Weight432.53 g/mol
Exact Mass432.16
IUPAC Name3-(2,4-diphenylbenzo[h]quinolin-6-yl)benzonitrile
SMILESN#Cc1cccc(-c2cc3c(-c4ccccc4)cc(-c4ccccc4)nc3c3ccccc23)c1
InChIInChI=1S/C32H20N2/c33-21-22-10-9-15-25(18-22)28-19-30-29(23-11-3-1-4-12-23)20-31(24-13-5-2-6-14-24)34-32(30)27-17-8-7-16-26(27)28/h1-20H
InChIKeyPUNHRXSHXRZMLU-UHFFFAOYSA-N
XLogP8.26
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-(2,4-diphenylbenzo[h]quinolin-6-yl)benzonitrile 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

4-(4-acridin-9-ylphenyl)-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[2,6-bis(4-phenylphenyl)benzo[h]quinolin-4-yl]benzonitrile
CID 161103794
2-(2,6-diphenylbenzo[h]quinolin-4-yl)benzonitrile
CID 70958757
2-[2,6-bis(4-phenylphenyl)benzo[h]quinolin-4-yl]benzonitrile;4-[2,6-bis(4-phenylphenyl)benzo[h]quinolin-4-yl]benzonitrile
CID 161310486
6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylbenzo[h]quinoline
CID 70958979
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline
CID 162043416
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,6-bis(4-phenylphenyl)benzo[h]quinoline
CID 70836420
3-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 134317940
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline
CID 70836400
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-diphenylbenzo[h]quinoline
CID 70958981
4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline
CID 157403455
4-[4-(4,6-dinaphthalen-1-ylbenzo[h]quinolin-2-yl)phenyl]benzonitrile
CID 70958881
4-[7-(4-cyanophenyl)-2,9-bis(4-phenylphenyl)-1,10-phenanthrolin-4-yl]benzonitrile
CID 70909439

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-diphenylbenzo[h]quinolin-6-yl)benzonitrile?
The IUPAC name of 3-(2,4-diphenylbenzo[h]quinolin-6-yl)benzonitrile (CID 70959604) is 3-(2,4-diphenylbenzo[h]quinolin-6-yl)benzonitrile.
What is the SMILES notation for 3-(2,4-diphenylbenzo[h]quinolin-6-yl)benzonitrile?
The canonical SMILES for 3-(2,4-diphenylbenzo[h]quinolin-6-yl)benzonitrile is N#Cc1cccc(-c2cc3c(-c4ccccc4)cc(-c4ccccc4)nc3c3ccccc23)c1.
What is the InChIKey of 3-(2,4-diphenylbenzo[h]quinolin-6-yl)benzonitrile?
The InChIKey is PUNHRXSHXRZMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2/c33-21-22-10-9-15-25(18-22)28-19-30-29(23-11-3-1-4-12-23)20-31(24-13-5-2-6-14-24)34-32(30)27-17-8-7-16-26(27)28/h1-20H.
What are the key properties of 3-(2,4-diphenylbenzo[h]quinolin-6-yl)benzonitrile?
3-(2,4-diphenylbenzo[h]quinolin-6-yl)benzonitrile has a molecular weight of 432.53 g/mol, XLogP of 8.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-diphenylbenzo[h]quinolin-6-yl)benzonitrile is sourced from PubChem (CID 70959604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).