4-[3-(8-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile

C35H21N3 — CID 146654048

IUPAC4-[3-(8-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc4cccc(-c5ncc6ccccc6n5)c4c3)cc3ccccc23)cc1
InChIInChI=1S/C35H21N3/c36-21-23-12-14-25(15-13-23)32-20-29(18-27-6-1-3-9-30(27)32)26-17-16-24-8-5-10-31(33(24)19-26)35-37-22-28-7-2-4-11-34(28)38-35/h1-20,22H
InChIKeyXJJNXEJDMLTJMV-UHFFFAOYSA-N
MW483.57 g/mol
LogP8.81
Rot. Bonds3

About 4-[3-(8-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile

4-[3-(8-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile (PubChem CID 146654048) has the molecular formula C35H21N3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 4-[3-(8-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-(8-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile
PubChem CID146654048
Molecular FormulaC35H21N3
Molecular Weight483.57 g/mol
Exact Mass483.17
IUPAC Name4-[3-(8-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc4cccc(-c5ncc6ccccc6n5)c4c3)cc3ccccc23)cc1
InChIInChI=1S/C35H21N3/c36-21-23-12-14-25(15-13-23)32-20-29(18-27-6-1-3-9-30(27)32)26-17-16-24-8-5-10-31(33(24)19-26)35-37-22-28-7-2-4-11-34(28)38-35/h1-20,22H
InChIKeyXJJNXEJDMLTJMV-UHFFFAOYSA-N
XLogP8.81
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[7-(3-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile
CID 142487964
2-[6-[7-(4-isocyanophenyl)naphthalen-2-yl]naphthalen-1-yl]quinazoline;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-2-yl]benzonitrile
CID 157054121
4-[3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]naphthalen-1-yl]benzonitrile
CID 146653715
4-[3-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 142488020
4-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 146653679
4-[4-[4-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 162490340
5-[4-[4-(2-naphthalen-1-ylquinazolin-4-yl)naphthalen-1-yl]phenyl]benzene-1,3-dicarbonitrile
CID 162490321
4-[3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 142487935
4-anthracen-1-ylbenzonitrile
CID 151714314
4-phenanthren-9-ylbenzonitrile
CID 89027020
4-[4-(4-naphthalen-1-ylphenyl)pyrimidin-2-yl]benzonitrile
CID 155079126
2-naphthalen-2-yl-4-[3-(6-naphthalen-1-yl-4-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 169040010

Frequently Asked Questions

What is the IUPAC name of 4-[3-(8-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile?
The IUPAC name of 4-[3-(8-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile (CID 146654048) is 4-[3-(8-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile.
What is the SMILES notation for 4-[3-(8-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile?
The canonical SMILES for 4-[3-(8-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile is N#Cc1ccc(-c2cc(-c3ccc4cccc(-c5ncc6ccccc6n5)c4c3)cc3ccccc23)cc1.
What is the InChIKey of 4-[3-(8-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile?
The InChIKey is XJJNXEJDMLTJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3/c36-21-23-12-14-25(15-13-23)32-20-29(18-27-6-1-3-9-30(27)32)26-17-16-24-8-5-10-31(33(24)19-26)35-37-22-28-7-2-4-11-34(28)38-35/h1-20,22H.
What are the key properties of 4-[3-(8-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile?
4-[3-(8-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile has a molecular weight of 483.57 g/mol, XLogP of 8.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(8-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile is sourced from PubChem (CID 146654048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).