Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)[C@]1(N=C(C2=CC=CC=C2)C2=CC=CC=C2)C23C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%10=C%10C8=C8C%14=C%10C%10=C%13C%13=C%15C%10=C%10C%14=C%14C%16=C%17C(C7=C8%16)=C5C2=C2C%17=C5C%14=C%10C7=C%15C8=C%10C%13=C%12C%12=C%10C%10=C(C%13=C4C(C%11=C%12%13)=C69)C13C1=C2C52[C@@](N=C(C3=CC=CC=C3)C3=CC=CC=C3)(C(=O)OCC)C72C8=C%101

InChIKey

InChIKey=IHWDIVAASZEEEL-WWKVZUEFSA-N

Formula

C94H30N2O4

Mass

1251.284

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