Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1C23C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%15C%16=C%12C%12=C%17C%16=C%16C%18=C%15C%15=C%14C%14=C%19C%13=C%11C%11=C9C(=C47)C4=C2C2=C(C%14=C7C%15=C9C%18=C%13C%16=C%14C%17=C(C8=C%10%12)C6=C%14C6=C%13C8=C9C7=C2C13C8=C56)C%19=C%114

InChIKey

InChIKey=FUPUCTKUIVFEIT-UHFFFAOYSA-N

Formula

C64H6O2

Mass

806.75

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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

Chrysene - Triphenylene - Anthracene carboxylic acid - Anthracene carboxylic acid or derivatives - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Phenalane - Naphthalene - Cyclopropanecarboxylic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - 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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