Structure Information
Structure

Compound Identification

SMILES

BrC1=CC=C(C=C1)C(=O)OC[C@@H]1CN2CCN1C13C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%10C%10=C9C9=C%15C%16=C%17C%18=C%19C%20=C%21C%22=C%23C%24=C%25C%26=C(C6=C8C%11=C%26C%12=C%24C%22=C%13C%20=C%14C%18=C%10%16)C6=C%25C8=C(C%10=C%11C(C%19=C%21C%10=C%238)=C%17C(=C%15C4=C79)C21%11)C3=C56

InChIKey

InChIKey=ICMHIUQWYIYFNQ-QESUWVHBSA-N

Formula

C72H13BrN2O2

Mass

1017.812

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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 - Benzoate ester - Naphthalene - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Aralkylamine - N-alkylpiperazine - Halobenzene - Bromobenzene - Piperazine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen 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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