4-[7-(3-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile

C35H21N3 — CID 142487964

IUPAC4-[7-(3-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile
SMILESN#Cc1ccc(-c2cccc3ccc(-c4cc5ccccc5cc4-c4ncc5ccccc5n4)cc23)cc1
InChIInChI=1S/C35H21N3/c36-21-23-12-14-25(15-13-23)30-10-5-9-24-16-17-28(20-31(24)30)32-18-26-6-1-2-7-27(26)19-33(32)35-37-22-29-8-3-4-11-34(29)38-35/h1-20,22H
InChIKeyNADNAEDTLXBPOZ-UHFFFAOYSA-N
MW483.57 g/mol
LogP8.81
Rot. Bonds3

About 4-[7-(3-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile

4-[7-(3-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile (PubChem CID 142487964) has the molecular formula C35H21N3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 4-[7-(3-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-(3-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile
PubChem CID142487964
Molecular FormulaC35H21N3
Molecular Weight483.57 g/mol
Exact Mass483.17
IUPAC Name4-[7-(3-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile
SMILESN#Cc1ccc(-c2cccc3ccc(-c4cc5ccccc5cc4-c4ncc5ccccc5n4)cc23)cc1
InChIInChI=1S/C35H21N3/c36-21-23-12-14-25(15-13-23)30-10-5-9-24-16-17-28(20-31(24)30)32-18-26-6-1-2-7-27(26)19-33(32)35-37-22-29-8-3-4-11-34(29)38-35/h1-20,22H
InChIKeyNADNAEDTLXBPOZ-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-[3-(8-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile
CID 146654048
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-anthracen-1-ylbenzonitrile
CID 151714314
4-[4-[4-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 162490340
4-[7-[1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile
CID 146654069
azane;tricyclo[4.4.0.02,9]deca-1(6),2,4,7,9-pentaene
CID 19797807
2-[4-[6-[4-[4-[4-[3-[3-(4-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile
CID 138750105
4-[4-(4-naphthalen-1-ylphenyl)pyrimidin-2-yl]benzonitrile
CID 155079126
4-[4-[4-[4-(2-naphthalen-2-yl-3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169297341
5-[4-[4-(2-naphthalen-1-ylquinazolin-4-yl)naphthalen-1-yl]phenyl]benzene-1,3-dicarbonitrile
CID 162490321
5-[4-[4-[2-(4-naphthalen-1-ylphenyl)quinazolin-4-yl]naphthalen-1-yl]phenyl]benzene-1,3-dicarbonitrile
CID 162490304
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 146654074

Frequently Asked Questions

What is the IUPAC name of 4-[7-(3-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile?
The IUPAC name of 4-[7-(3-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile (CID 142487964) is 4-[7-(3-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile.
What is the SMILES notation for 4-[7-(3-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile?
The canonical SMILES for 4-[7-(3-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile is N#Cc1ccc(-c2cccc3ccc(-c4cc5ccccc5cc4-c4ncc5ccccc5n4)cc23)cc1.
What is the InChIKey of 4-[7-(3-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile?
The InChIKey is NADNAEDTLXBPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3/c36-21-23-12-14-25(15-13-23)30-10-5-9-24-16-17-28(20-31(24)30)32-18-26-6-1-2-7-27(26)19-33(32)35-37-22-29-8-3-4-11-34(29)38-35/h1-20,22H.
What are the key properties of 4-[7-(3-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile?
4-[7-(3-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-[7-(3-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile is sourced from PubChem (CID 142487964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).