Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C(=O)OC)C23C4=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(C2C=CC3=C(C=CC(C)=C3)N12)C1=C%16C%15=C8C7=C51)=C%14%10

InChIKey

InChIKey=ZPGLDHZHFOLYLO-UHFFFAOYSA-N

Formula

C76H15NO4

Mass

1005.959

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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 - Dihydroquinolone - Alpha-amino acid or derivatives - Dihydroquinoline - Naphthalene - Tertiary aliphatic/aromatic amine - Aralkylamine - Tetrahydropyridine - Dicarboxylic acid or derivatives - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Enamine - Azacycle - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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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