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

C32H20N2 — CID 70958757

IUPAC2-(2,6-diphenylbenzo[h]quinolin-4-yl)benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccccc2)nc2c1cc(-c1ccccc1)c1ccccc12
InChIInChI=1S/C32H20N2/c33-21-24-15-7-8-16-25(24)29-20-31(23-13-5-2-6-14-23)34-32-27-18-10-9-17-26(27)28(19-30(29)32)22-11-3-1-4-12-22/h1-20H
InChIKeyVWSKCTGEQQGWDW-UHFFFAOYSA-N
MW432.53 g/mol
LogP8.26
Rot. Bonds3

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

2-(2,6-diphenylbenzo[h]quinolin-4-yl)benzonitrile (PubChem CID 70958757) has the molecular formula C32H20N2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-(2,6-diphenylbenzo[h]quinolin-4-yl)benzonitrile.

Molecular Properties

Compound Name2-(2,6-diphenylbenzo[h]quinolin-4-yl)benzonitrile
PubChem CID70958757
Molecular FormulaC32H20N2
Molecular Weight432.53 g/mol
Exact Mass432.16
IUPAC Name2-(2,6-diphenylbenzo[h]quinolin-4-yl)benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccccc2)nc2c1cc(-c1ccccc1)c1ccccc12
InChIInChI=1S/C32H20N2/c33-21-24-15-7-8-16-25(24)29-20-31(23-13-5-2-6-14-23)34-32-27-18-10-9-17-26(27)28(19-30(29)32)22-11-3-1-4-12-22/h1-20H
InChIKeyVWSKCTGEQQGWDW-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'}

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Related Compounds

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
2-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile;4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile
CID 159435282
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-(2,4-diphenylbenzo[h]quinolin-6-yl)benzonitrile
CID 70959604
2-(2,4-dinaphthalen-1-ylbenzo[h]quinolin-6-yl)benzonitrile
CID 70959605
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
2-[2-[5-[4-(2-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448036
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-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-di(phenanthren-9-yl)benzo[h]quinoline
CID 89137298

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diphenylbenzo[h]quinolin-4-yl)benzonitrile?
The IUPAC name of 2-(2,6-diphenylbenzo[h]quinolin-4-yl)benzonitrile (CID 70958757) is 2-(2,6-diphenylbenzo[h]quinolin-4-yl)benzonitrile.
What is the SMILES notation for 2-(2,6-diphenylbenzo[h]quinolin-4-yl)benzonitrile?
The canonical SMILES for 2-(2,6-diphenylbenzo[h]quinolin-4-yl)benzonitrile is N#Cc1ccccc1-c1cc(-c2ccccc2)nc2c1cc(-c1ccccc1)c1ccccc12.
What is the InChIKey of 2-(2,6-diphenylbenzo[h]quinolin-4-yl)benzonitrile?
The InChIKey is VWSKCTGEQQGWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2/c33-21-24-15-7-8-16-25(24)29-20-31(23-13-5-2-6-14-23)34-32-27-18-10-9-17-26(27)28(19-30(29)32)22-11-3-1-4-12-22/h1-20H.
What are the key properties of 2-(2,6-diphenylbenzo[h]quinolin-4-yl)benzonitrile?
2-(2,6-diphenylbenzo[h]quinolin-4-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 2-(2,6-diphenylbenzo[h]quinolin-4-yl)benzonitrile is sourced from PubChem (CID 70958757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).