Structure Information
Structure

Compound Identification

SMILES

CC1(C)S[C@@H]2[C@H](NC(=O)C3C45C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%15C%16=C%12C%10=C%10C%12=C%17C%18=C%19C(C%15=C%15C%20=C%14C%14=C%13C%13=C%11C8=C8C%13=C%11C%14=C%13C%20=C%14C%15=C%19C%15=C%18C%18=C(C%19=C%15C%14=C%14C%13=C%11C(=C68)C4=C%19%14)C35C3=C%18C%17=C%10C9=C73)=C%16%12)C(=O)N2[C@H]1C(=O)OCC1=CC=CC=C1

InChIKey

InChIKey=PCHMNJCYLJJJDS-LTCZOOFGSA-N

Formula

C77H18N2O4S

Mass

1067.06

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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 - Penicillin - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Naphthalene - Benzyloxycarbonyl - Penam - Cyclopropanecarboxylic acid or derivatives - Monocyclic benzene moiety - Thiazolidine - Tertiary carboxylic acid amide - Beta-lactam - Carboxamide group - Secondary carboxylic acid amide - Azetidine - Lactam - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Dialkylthioether - Carboxylic acid derivative - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - 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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