Structure Information
Structure

Compound Identification

SMILES

COCCOCN1C2=C3C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%20=C%21C%22=C%23C%24=C%25C(=C4C4=C6C6=C%26C4=C%25C4=C%25C%27=C(C(C%28=C%27C%27=C(C%14=C%16%28)C%12=C(C%27=C%26%25)C6=C7%11)=C%17%20)C%21=C%244)C3=C%23C3=C2C2=C(C4=C(C(C%15=C%184)=C%10%13)C9=C2C1=C58)C%19=C%223

InChIKey

InChIKey=KVMRAINLNFBJEN-UHFFFAOYSA-N

Formula

C74H9NO2

Mass

943.891

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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 - Aporphine - Benz-a-acridine - Chrysene - Tetracene - Triphenylene - Dibenzazepine - Acridine - Benzoquinoline - Phenanthridine - Phenanthrene - Benzazepine - Isoquinoline - Quinoline - Alkaloid or derivatives - Azepine - Pyridine - Heteroaromatic compound - Ether - Dialkyl ether - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - 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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