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(F)C=C1

InChIKey

InChIKey=GRKBOKYEMKXXSP-UHFFFAOYSA-N

Formula

C28H16FN3

Mass

413.455

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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 Benzonitriles Aniline and substituted anilines Fluorobenzenes Aryl fluorides Nitriles Primary amines Organofluorides Hydrocarbon derivatives

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Arylnaphthalene lignan skeleton - Anthracene - Biphenylcarbonitrile - Biphenyl - Benzonitrile - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Nitrile - Carbonitrile - Organohalogen compound - Organic nitrogen compound - Amine - Primary amine - Hydrocarbon derivative - Cyanide - Organofluoride - Organonitrogen 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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