Compound Identification
SMILES
[Ti++].OC1=C(O)C(Cl)=C(Cl)C(Cl)=C1Cl.[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=SFWNEVPAQJATOB-UHFFFAOYSA-N
Formula
C38H18Cl4N8O2Ti
Mass
808.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Tetrapyrroles and derivatives
- Subclass Phthalocyanines
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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
3-chlorocatechols 4-chlorocatechols Isoindoles P-chlorophenols M-chlorophenols O-chlorophenols Chlorobenzenes Aryl chlorides Heteroaromatic compounds Pyrroles Organic metal halides Azacyclic compounds Organic transition metal salts Organic zwitterions Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Not available
Substituents
Phthalocyanine skeleton - 3-chlorocatechol - 4-chlorocatechol - Chlorocatechol - Isoindole - Isoindole or derivatives - Catechol - 4-halophenol - 3-halophenol - 2-halophenol - 4-chlorophenol - 3-chlorophenol - 2-chlorophenol - Chlorobenzene - Halobenzene - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrole - Heteroaromatic compound - Organic transition metal salt - Azacycle - Organic metal halide - Organic zwitterion - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - 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