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
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
Isoindoles Catechols M-bromophenols P-bromophenols 1-hydroxy-2-unsubstituted benzenoids Bromobenzenes Aryl bromides Pyrroles Heteroaromatic compounds Organic transition metal salts Organic metal halides Azacyclic compounds Organobromides Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds
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