Structure Information
Structure

Compound Identification

SMILES

C[N+]1=CC=C(C=C1)N1CC23C4C5C6C7=C8C9=C6C6=C%10C5=C2C2=C5C%11C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%20=C%21C(=C%22C7=C4C4=C%22C7=C(C%12=C4C3%11C1)C(=C%13%16)C%18=C%217)C8=C%20C1=C9C3=C6C4=C6C(C(=C5%14)C2=C%104)=C%15C2=C6C3=C1C%19=C%172

InChIKey

InChIKey=VLJDUXNMFKCDQA-UHFFFAOYSA-N

Formula

C68H15N2

Mass

859.881

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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 - Fluorene - Naphthalene - Indane - Isoindoline - Isoindole or derivatives - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyridine - N-methylpyridinium - Aralkylamine - Pyridinium - Pyridine - Pyrrolidine - Heteroaromatic compound - Tertiary amine - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic cation - 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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