Structure Information
Structure

Compound Identification

SMILES

[Ti++].OC(=O)C1=CC=CC=C1O.[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=QZTQSMUBHKKYAV-UHFFFAOYSA-N

Formula

C39H22N8O3Ti

Mass

698.525

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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 - Hydroxybenzoic acid - Salicylic acid or derivatives - Salicylic acid - Benzoic acid - Isoindole - Isoindole or derivatives - Benzoic acid or derivatives - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous acid - Pyrrole - Organic transition metal salt - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic salt - Organic zwitterion - 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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