Structure Information
Structure

Compound Identification

SMILES

CN1CC23C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%10C8=C8C%10=C%15C%16=C%17C(C%13=C%13C%18=C%12C%12=C%11C%11=C9C6=C6C%11=C9C%12=C%11C%18=C%12C%13=C%17C%13=C%16C%16=C(C%17=C%13C%12=C%12C%11=C9C(=C46)C2=C%17%12)C3(C1C1=CC=C(C=C1)C#CC1=CC(=NC=C1)C1=CC=CC=N1)C1=C%16C%15=C8C7=C51)=C%14%10

InChIKey

InChIKey=NJRNERNZDNVLDO-UHFFFAOYSA-N

Formula

C81H17N3

Mass

1032.048

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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 heteropolycyclic compounds

Substituents

Chrysene - Triphenylene - Bipyridine - 2-phenylpyrrolidine - Naphthalene - Isoindoline - Isoindole or derivatives - Aralkylamine - Monocyclic benzene moiety - N-alkylpyrrolidine - Pyridine - Pyrrole - Heteroaromatic compound - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic 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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