Structure Information
Structure

Compound Identification

SMILES

[Fe++].[CH]1[CH][CH][CH][CH]1.O=C([C]1[CH][CH][CH][CH]1)N1CC23C4=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)C3(C1C1=CSC(S1)=C1SC=CS1)C1=C%16C%15=C8C7=C51)=C%14%10

InChIKey

InChIKey=XQQHWYMAFUOUPU-UHFFFAOYSA-N

Formula

C79H15FeNOS4

Mass

1178.08

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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 - N-acylpyrrolidine - Pyrrolidine - Tertiary carboxylic acid amide - 1,3-dithiole - Dithiole - Carboxamide group - Thioenolether - Carboxylic acid derivative - Azacycle - Organic transition metal salt - Organoheterocyclic compound - Cyclic olefin - Cycloalkene - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organonitrogen compound - Olefin - Unsaturated hydrocarbon - Unsaturated aliphatic hydrocarbon - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen 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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