Structure Information
Structure

Compound Identification

SMILES

O=C1CN2C3=C4C5=C6C7=C8C9=C%10C%11=C%12C%13=C%14C%15=C%16C%17=C%18C%19=C(C%11=C%13%17)C9=C9C%19=C%11C%13=C%17C%19=C%20C%21=C%22C%23=C%24C%25=C%26C(=C%12C%25=C%14C%23=C%15C%21=C%19C%16=C%18%13)C%10=C8C5=C%26C4=C%24C%22=C2N(CC(=O)OCCO1)C%20=C1C%17=C%11C(=C79)C6=C31

InChIKey

InChIKey=NDCZATNYHLUAQE-UHFFFAOYSA-N

Formula

C66H8N2O4

Mass

892.8

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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 - Dibenzazepine - Alpha-amino acid ester - Benzazepine - Naphthalene - Azepine - Dicarboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen 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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