Structure Information
Structure

Compound Identification

SMILES

[Ti++].OC1=CC(Br)=C(Br)C=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=NDPLNWXWHYAUAF-UHFFFAOYSA-N

Formula

C38H20Br2N8O2Ti

Mass

828.307

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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 - Isoindole or derivatives - Isoindole - 3-bromophenol - 4-bromophenol - 3-halophenol - 4-halophenol - Catechol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Organic metal halide - Azacycle - Organic transition metal salt - Organooxygen compound - Organic zwitterion - Organic salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen 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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