Compound Identification
SMILES
[Zr++].OC(=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=SBVHYPQUAGTYKE-UHFFFAOYSA-N
Formula
C39H22N8O5Zr
Mass
773.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Tetrapyrroles and derivatives
- Subclass Phthalocyanines
-
Class
Tetrapyrroles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Tetrapyrroles and derivatives
Subclass
Phthalocyanines
Intermediate Tree Nodes
Not available
Direct Parent
Phthalocyanines
Alternative Parents
Gallic acids Pyrogallols and derivatives Isoindoles Benzoic acids Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Pyrroles Heteroaromatic compounds Polyols Organic transition metal salts Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organic zwitterions Organonitrogen compounds
Molecular Framework
Not available
Substituents
Phthalocyanine skeleton - Gallic acid or derivatives - Gallic acid - Hydroxybenzoic acid - Benzenetriol - Benzoic acid or derivatives - Benzoic acid - Isoindole - Isoindole or derivatives - Pyrogallol derivative - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Organic transition metal salt - Carboxylic acid derivative - Carboxylic acid - Polyol - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - Organic oxide - Organonitrogen compound - Organooxygen 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