Structure Information
Structure

Compound Identification

SMILES

[Ti++].OC(=O)C1=C(O)C=C(O)C=C1.[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=GHLUNANVFLUHHH-UHFFFAOYSA-N

Formula

C39H22N8O4Ti

Mass

714.524

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