Compound Identification
SMILES
ClC1=CC=C(C=C1)C1=C2NC(C=C2)=C(C2=CC=C(N2)C(=C2C=CC(=N2)C(=C2C=CC1=N2)C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1)C1=CC=C(OC(=O)C=C)C=C1
InChIKey
InChIKey=XCJDQKSQPNIIGN-UHFFFAOYSA-N
Formula
C47H29Cl3N4O2
Mass
788.13
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Tetrapyrroles and derivatives
- Subclass Porphyrins
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Class
Tetrapyrroles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Tetrapyrroles and derivatives
Subclass
Porphyrins
Intermediate Tree Nodes
Not available
Direct Parent
Porphyrins
Alternative Parents
Phenol esters Phenoxy compounds Chlorobenzenes Aryl chlorides Acrylic acid esters Pyrroles Heteroaromatic compounds Enoate esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Porphyrin - Phenol ester - Phenoxy compound - Chlorobenzene - Halobenzene - Acrylic acid ester - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Acrylic acid or derivatives - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Pyrrole - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as porphyrins. These are compounds containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure.
External Descriptors
Not available