Structure Information
Structure

Compound Identification

SMILES

[Ti++].COC(=O)C1=CC(O)=C(O)C(O)=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=ULLBDBGQSQVUGB-UHFFFAOYSA-N

Formula

C40H24N8O5Ti

Mass

744.55

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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 - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Benzoate ester - Pyrogallol derivative - Isoindole or derivatives - Isoindole - Benzenetriol - Benzoic acid or derivatives - Benzoyl - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Methyl ester - Pyrrole - Carboxylic acid ester - Organic transition metal salt - Azacycle - Carboxylic acid derivative - Polyol - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - 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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