Structure Information
Structure

Compound Identification

SMILES

NC1=C(C#N)C(=CC(=C1C#N)C1=C2C=CC=CC2=CC2=CC=CC=C12)C1=CC=C(Br)C=C1

InChIKey

InChIKey=ALRKHVWUXLKNRG-UHFFFAOYSA-N

Formula

C28H16BrN3

Mass

474.361

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Arylnaphthalene lignans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Arylnaphthalene lignans

Alternative Parents

Biphenylcarbonitriles Anthracenes Brominated biphenyls Benzonitriles Aniline and substituted anilines Bromobenzenes Aryl bromides Nitriles Primary amines Organobromides Hydrocarbon derivatives

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Arylnaphthalene lignan skeleton - Anthracene - Biphenylcarbonitrile - Brominated biphenyl - Biphenyl - Benzonitrile - Aniline or substituted anilines - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carbonitrile - Nitrile - Organonitrogen compound - Primary amine - Amine - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as arylnaphthalene lignans. These are lignans containing the arylnaphthalene skeleton, especially 9-(2H-1,3-benzodioxol-5-yl)-1H,3H-naphtho[2,3-c]furan-1-one or a derivative thereof. Arylnaphthalene lignans occur in nature and exhibit diverse biological activities.

External Descriptors

Not available

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