Structure Information
Structure

Compound Identification

SMILES

[Ti++].OC1=C(O)C(Cl)=C(Cl)C(Cl)=C1Cl.[N-]1C2=NC3=NC(=NC4=C5C=CC=CC5=C([N-]4)N=C4N=C(N=C1C1=CC=CC=C21)C1=CC=CC=C41)C1=CC=CC=C31

InChIKey

InChIKey=SFWNEVPAQJATOB-UHFFFAOYSA-N

Formula

C38H18Cl4N8O2Ti

Mass

808.28

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Tetrapyrroles and derivatives

Subclass

Phthalocyanines

Intermediate Tree Nodes

Not available

Direct Parent

Phthalocyanines

Alternative Parents

Molecular Framework

Not available

Substituents

Phthalocyanine skeleton - 3-chlorocatechol - 4-chlorocatechol - Chlorocatechol - Isoindole - Isoindole or derivatives - Catechol - 4-halophenol - 3-halophenol - 2-halophenol - 4-chlorophenol - 3-chlorophenol - 2-chlorophenol - Chlorobenzene - Halobenzene - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrole - Heteroaromatic compound - Organic transition metal salt - Azacycle - Organic metal halide - Organic zwitterion - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phthalocyanines. These are cyclic tetrapyrroles that contain a phthalocyanine skeleton, which consists of four isoindole-type units, with the connecting carbon atoms in the macrocycle replaced by nitrogen.

External Descriptors

Not available

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