Structure Information
Structure

Compound Identification

SMILES

CC12C3=C4C5=C6C7=C8C5=C5C9=C%10C%11=C5C4=C1C1=C%11C4=C5C%11=C%12C%13=C%14C%15=C%16C%17=C%18C%14=C%11C%11(C)C%18=C%14C%18=C%17C%17(C)C%16=C%16C%19=C%20C%21=C(C%13=C%15%19)C(=C4%12)C1(C)C%21=C2C1=C%20C%16(C)C2=C4C(C6=C3C14C)=C1C7=C(C3=C8C9=C(C%11=C%105)C%143C)C%18(C)C1=C%172

InChIKey

InChIKey=KQAPFIJKYLLBDH-UHFFFAOYSA-N

Formula

C78H24

Mass

961.05

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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 - Tetracene - Chrysene - Tetralin - Aromatic hydrocarbon - Polycyclic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - 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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