5-[4-[4-(2-naphthalen-1-ylquinazolin-4-yl)naphthalen-1-yl]phenyl]benzene-1,3-dicarbonitrile

C42H24N4 — CID 162490321

IUPAC5-[4-[4-(2-naphthalen-1-ylquinazolin-4-yl)naphthalen-1-yl]phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccc(-c3ccc(-c4nc(-c5cccc6ccccc56)nc5ccccc45)c4ccccc34)cc2)c1
InChIInChI=1S/C42H24N4/c43-25-27-22-28(26-44)24-32(23-27)29-16-18-31(19-17-29)34-20-21-37(36-12-4-3-11-35(34)36)41-39-13-5-6-15-40(39)45-42(46-41)38-14-7-9-30-8-1-2-10-33(30)38/h1-24H
InChIKeyMILYCFLININNDL-UHFFFAOYSA-N
MW584.68 g/mol
LogP10.35
Rot. Bonds4

About 5-[4-[4-(2-naphthalen-1-ylquinazolin-4-yl)naphthalen-1-yl]phenyl]benzene-1,3-dicarbonitrile

5-[4-[4-(2-naphthalen-1-ylquinazolin-4-yl)naphthalen-1-yl]phenyl]benzene-1,3-dicarbonitrile (PubChem CID 162490321) has the molecular formula C42H24N4 and a molecular weight of 584.68 g/mol. Its IUPAC name is 5-[4-[4-(2-naphthalen-1-ylquinazolin-4-yl)naphthalen-1-yl]phenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[4-[4-(2-naphthalen-1-ylquinazolin-4-yl)naphthalen-1-yl]phenyl]benzene-1,3-dicarbonitrile
PubChem CID162490321
Molecular FormulaC42H24N4
Molecular Weight584.68 g/mol
Exact Mass584.20
IUPAC Name5-[4-[4-(2-naphthalen-1-ylquinazolin-4-yl)naphthalen-1-yl]phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccc(-c3ccc(-c4nc(-c5cccc6ccccc56)nc5ccccc45)c4ccccc34)cc2)c1
InChIInChI=1S/C42H24N4/c43-25-27-22-28(26-44)24-32(23-27)29-16-18-31(19-17-29)34-20-21-37(36-12-4-3-11-35(34)36)41-39-13-5-6-15-40(39)45-42(46-41)38-14-7-9-30-8-1-2-10-33(30)38/h1-24H
InChIKeyMILYCFLININNDL-UHFFFAOYSA-N
XLogP10.35
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.68
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[4-[2-(4-naphthalen-1-ylphenyl)quinazolin-4-yl]naphthalen-1-yl]phenyl]benzene-1,3-dicarbonitrile
CID 162490304
4-[4-[4-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 162490340
3-[4-[4-phenyl-6-[2-[2-[2-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 174309042
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile
CID 176848103
3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzonitrile
CID 134317943
4-[4-[4-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 155283530
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile
CID 175620932
3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile
CID 134317886
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 134317879
2-[3-[4-phenyl-6-[2-phenyl-4-[2-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 174314774
3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-5-(4-methylphenyl)benzonitrile
CID 145448507
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzene-1,3-dicarbonitrile
CID 165099707

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(2-naphthalen-1-ylquinazolin-4-yl)naphthalen-1-yl]phenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[4-[4-(2-naphthalen-1-ylquinazolin-4-yl)naphthalen-1-yl]phenyl]benzene-1,3-dicarbonitrile (CID 162490321) is 5-[4-[4-(2-naphthalen-1-ylquinazolin-4-yl)naphthalen-1-yl]phenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[4-[4-(2-naphthalen-1-ylquinazolin-4-yl)naphthalen-1-yl]phenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[4-[4-(2-naphthalen-1-ylquinazolin-4-yl)naphthalen-1-yl]phenyl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2ccc(-c3ccc(-c4nc(-c5cccc6ccccc56)nc5ccccc45)c4ccccc34)cc2)c1.
What is the InChIKey of 5-[4-[4-(2-naphthalen-1-ylquinazolin-4-yl)naphthalen-1-yl]phenyl]benzene-1,3-dicarbonitrile?
The InChIKey is MILYCFLININNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4/c43-25-27-22-28(26-44)24-32(23-27)29-16-18-31(19-17-29)34-20-21-37(36-12-4-3-11-35(34)36)41-39-13-5-6-15-40(39)45-42(46-41)38-14-7-9-30-8-1-2-10-33(30)38/h1-24H.
What are the key properties of 5-[4-[4-(2-naphthalen-1-ylquinazolin-4-yl)naphthalen-1-yl]phenyl]benzene-1,3-dicarbonitrile?
5-[4-[4-(2-naphthalen-1-ylquinazolin-4-yl)naphthalen-1-yl]phenyl]benzene-1,3-dicarbonitrile has a molecular weight of 584.68 g/mol, XLogP of 10.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(2-naphthalen-1-ylquinazolin-4-yl)naphthalen-1-yl]phenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 162490321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).