Structure Information
Structure

Compound Identification

SMILES

[Hf].OC(=O)C1=C(O)C=CC(=C1)S([O-])(=O)=O.[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=XFYUCRXAUACVJS-UHFFFAOYSA-M

Formula

C39H21HfN8O6S

Mass

908.2

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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-sulfobenzoic acid - Sulfobenzoic acid - Sulfosalicylic acid or derivatives - Salicylic acid - Salicylic acid or derivatives - Benzenesulfonate - Hydroxybenzoic acid - Isoindole - Isoindole or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Benzoic acid - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Sulfonyl - Pyrrole - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic transition metal salt - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic anion - 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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