Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1(C(=O)OCC2=CC3=C(C=C2)C(=C2SC=CS2)C2=CC=CC=C2C3=C2SC=CS2)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)C13C1=C%16C%15=C8C7=C51)=C%14%10

InChIKey

InChIKey=IQFJJBKRSJMBDX-UHFFFAOYSA-N

Formula

C86H18O4S4

Mass

1243.33

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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 - Anthracene - P-quinodimethane - Cyclopropanecarboxylic acid or derivatives - Dicarboxylic acid or derivatives - Dithiole - 1,3-dithiole - Carboxylic acid ester - Thioenolether - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - 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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