Structure Information
Structure

Compound Identification

SMILES

OC1=CC(=O)C2=C3C(=O)C=C(O)C4=C3C3=C5C2=C1C(=O)C1=C5C(C(C=C1O)=C1NC2=CC=CC=C2N1)=C1C(C=C(O)C(C4=O)=C31)=C1NC2=CC=CC=C2N1

InChIKey

InChIKey=SXTZBIBHDAJFGB-UHFFFAOYSA-N

Formula

C42H20N4O8

Mass

708.642

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Pyrenes

Subclass

Benzopyrenes

Intermediate Tree Nodes

Not available

Direct Parent

Benzopyrenes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzo-a-pyrene - Benzo-e-pyrene - Phenanthro-perylenequinone - Perylenequinone - Chrysene - Triphenylene - Phenanthrol - Anthracene - Phenanthrene - 2-naphthol - 1-naphthol - Benzimidazole - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous acid - Azacycle - Organoheterocyclic compound - Polyol - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzopyrenes. These are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system.

External Descriptors

Not available

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