Structure Information
Structure

Compound Identification

SMILES

O=C1OCC2=CC=C(COC(=O)[C@]3(N=C(C4=CC=CC=C4)C4=CC=CC=C4)C45C6=C7C8=C9C%10=C%11C%12=C%13C9=C7C7=C9C%13=C%13C%12=C%12C%14=C%15C%16=C%17C(C%10=C%10C%18=C%19C%20=C%21C%22=C%23C%24=C%25C%26=C%27C%28=C(C%29=C4C(C%20=C%22C%29=C%24%28)=C6C%19=C8%10)C(=C9C%27=C%13C%26=C%12C%154C%25(C%23=C%16C%21=C%17%18)[C@@]14N=C(C1=CC=CC=C1)C1=CC=CC=C1)C357)=C%11%14)C=C2

InChIKey

InChIKey=QZEUEWKXPAHXLB-JZPVYNEDSA-N

Formula

C98H28N2O4

Mass

1297.312

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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 - Diphenylmethane - Alpha-amino acid or derivatives - Naphthalene - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Azomethine - Secondary ketimine - Carboxylic acid ester - Ketimine - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Imine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organooxygen 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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