6,7-dibenzoylnaphthalene-2,3-dicarbonitrile

C26H14N2O2 — CID 44556911

IUPAC6,7-dibenzoylnaphthalene-2,3-dicarbonitrile
SMILESN#Cc1cc2cc(C(=O)c3ccccc3)c(C(=O)c3ccccc3)cc2cc1C#N
InChIInChI=1S/C26H14N2O2/c27-15-21-11-19-13-23(25(29)17-7-3-1-4-8-17)24(14-20(19)12-22(21)16-28)26(30)18-9-5-2-6-10-18/h1-14H
InChIKeyVZHQOMYRCYUELE-UHFFFAOYSA-N
MW386.41 g/mol
LogP5.05
Rot. Bonds4

About 6,7-dibenzoylnaphthalene-2,3-dicarbonitrile

6,7-dibenzoylnaphthalene-2,3-dicarbonitrile (PubChem CID 44556911) has the molecular formula C26H14N2O2 and a molecular weight of 386.41 g/mol. Its IUPAC name is 6,7-dibenzoylnaphthalene-2,3-dicarbonitrile.

Molecular Properties

Compound Name6,7-dibenzoylnaphthalene-2,3-dicarbonitrile
PubChem CID44556911
Molecular FormulaC26H14N2O2
Molecular Weight386.41 g/mol
Exact Mass386.11
IUPAC Name6,7-dibenzoylnaphthalene-2,3-dicarbonitrile
SMILESN#Cc1cc2cc(C(=O)c3ccccc3)c(C(=O)c3ccccc3)cc2cc1C#N
InChIInChI=1S/C26H14N2O2/c27-15-21-11-19-13-23(25(29)17-7-3-1-4-8-17)24(14-20(19)12-22(21)16-28)26(30)18-9-5-2-6-10-18/h1-14H
InChIKeyVZHQOMYRCYUELE-UHFFFAOYSA-N
XLogP5.05
TPSA81.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.41
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-benzoyl-4-cyanophenyl)acetic acid
CID 91883994
naphthalene-2,3-dicarbonitrile
CID 601270
naphthalene-2,3,6,7-tetracarbonitrile
CID 66972136
5-benzoyl-6-oxo-2-phenyl-1H-pyridine-3-carbonitrile
CID 135018572
3-benzoyl-4-bromobenzonitrile
CID 91883965
3-benzoyl-4-fluorobenzonitrile
CID 83393087
(6-benzoyl-1,3-diphenylbenzo[f][2]benzofuran-7-yl)-phenylmethanone
CID 13010524
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
4-(3-hydroxynaphthalene-2-carbonyl)benzonitrile
CID 10912682
2-(2-benzoyl-4-cyanophenyl)acetic acid
CID 91883970
4-(2-benzoylphenyl)-2-fluorobenzonitrile
CID 132599326
diphenylmethanone
CID 3102

Frequently Asked Questions

What is the IUPAC name of 6,7-dibenzoylnaphthalene-2,3-dicarbonitrile?
The IUPAC name of 6,7-dibenzoylnaphthalene-2,3-dicarbonitrile (CID 44556911) is 6,7-dibenzoylnaphthalene-2,3-dicarbonitrile.
What is the SMILES notation for 6,7-dibenzoylnaphthalene-2,3-dicarbonitrile?
The canonical SMILES for 6,7-dibenzoylnaphthalene-2,3-dicarbonitrile is N#Cc1cc2cc(C(=O)c3ccccc3)c(C(=O)c3ccccc3)cc2cc1C#N.
What is the InChIKey of 6,7-dibenzoylnaphthalene-2,3-dicarbonitrile?
The InChIKey is VZHQOMYRCYUELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14N2O2/c27-15-21-11-19-13-23(25(29)17-7-3-1-4-8-17)24(14-20(19)12-22(21)16-28)26(30)18-9-5-2-6-10-18/h1-14H.
What are the key properties of 6,7-dibenzoylnaphthalene-2,3-dicarbonitrile?
6,7-dibenzoylnaphthalene-2,3-dicarbonitrile has a molecular weight of 386.41 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dibenzoylnaphthalene-2,3-dicarbonitrile is sourced from PubChem (CID 44556911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).