Structure Information
Structure

Compound Identification

SMILES

[Fe++].[CH]1[CH][CH][CH][CH]1.[O-][N+](=O)C1=CC(=CC(CN2CC34C5=C6C7=C8C9=C%10C%11=C%12C%13=C%14C%15=C%11C9=C9C%11=C%16C%17=C%18C(C%14=C%14C%19=C%13C%13=C%12C%12=C%10C7=C7C%12=C%10C%13=C%12C%19=C%13C%14=C%18C%14=C%17C%17=C(C%18=C%14C%13=C%13C%12=C%10C(=C57)C3=C%18%13)C4(C2[C]2[CH][CH][CH][CH]2)C2=C%17C%16=C9C8=C62)=C%15%11)=C1)[N+]([O-])=O

InChIKey

InChIKey=GQYVYVKNZJVOHT-UHFFFAOYSA-N

Formula

C79H17FeN3O4

Mass

1127.866

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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

Not available

Substituents

Chrysene - Triphenylene - Naphthalene - Isoindoline - Isoindole or derivatives - Nitrobenzene - Nitroaromatic compound - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - N-alkylpyrrolidine - Pyrrolidine - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Organic transition metal salt - Cyclic olefin - Azacycle - Cycloalkene - Organic oxoazanium - Organic salt - Organic oxygen compound - Organic nitrogen compound - Olefin - Hydrocarbon derivative - Amine - Organic oxide - Unsaturated hydrocarbon - Unsaturated aliphatic hydrocarbon - Organonitrogen compound - Organopnictogen compound - Organic cation - Hydrocarbon - 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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