Structure Information
Structure

Compound Identification

SMILES

N#CC1(C#N)C23C4C5=C6C7=C8C9=C%10C%11=C%12C%13=C%10C%10=C%14C%15=C%16C%17=C%18C%19=C%20C%21=C%22C%18=C%16C%16=C%14C%13=C%13C%16=C%22C%14=C%16C%13=C%12C%12=C%16C%13=C(C%16=C4C(=C69)C%11=C%12%16)C12C(C%13=C%21%14)=C%20C1=C3C5C2=C7C(=C%17C2=C%191)C%15=C8%10

InChIKey

InChIKey=GODIBLDBTXOENO-UHFFFAOYSA-N

Formula

C63H2N2

Mass

786.723

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenanthrenes and derivatives

Subclass

Triphenylenes

Intermediate Tree Nodes

Not available

Direct Parent

Triphenylenes

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Triphenylene - Chrysene - Naphthalene - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as triphenylenes. These are compounds containing a triphenylene moiety, which consists of four fused benzene rings forming a 9,10-benzo[l]phenanthrene.

External Descriptors

Not available

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