Compound Identification
SMILES
[Ti++].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=HFJHHZPXJCKGPN-UHFFFAOYSA-M
Formula
C39H21N8O6STi
Mass
777.57
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
Sulfosalicylic acids and derivatives 3-sulfobenzoic acids Salicylic acids 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzoic acids Isoindoles Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Sulfonyls Pyrroles Organosulfonic acids Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organic transition metal salts Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic cations
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 - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzoic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Isoindole or derivatives - Benzoic acid - Isoindole - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Pyrrole - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic transition metal salt - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic salt - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - 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