Compound Identification
SMILES
[Zn++].CCC1=C2[N-]C(=C1C)C(=C1N=C(C=C3[N-]C(=CC4=NC(=C2)C(C)=C4CCC(=O)OC)C(CCC(=O)OC)=C3C)C(CC)=C1C)C1=CC=C(Br)C=C1
InChIKey
InChIKey=WWYOVBCSFGPWAG-UHFFFAOYSA-N
Formula
C42H43BrN4O4Zn
Mass
813.11
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Tetrapyrroles and derivatives
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Subclass
Metallotetrapyrroles
- Level 5 Metalloporphyrins
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Subclass
Metallotetrapyrroles
-
Class
Tetrapyrroles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Tetrapyrroles and derivatives
Subclass
Metallotetrapyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Metalloporphyrins
Alternative Parents
Porphyrins Bromobenzenes Fatty acid esters Substituted pyrroles Aryl bromides Dicarboxylic acids and derivatives Heteroaromatic compounds Methyl esters Azacyclic compounds Organic transition metal salts Organic metal halides Hydrocarbon derivatives Organonitrogen compounds Organic zwitterions Carbonyl compounds Organobromides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Metalloporphyrin - Porphyrin - Bromobenzene - Fatty acid ester - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Substituted pyrrole - Benzenoid - Fatty acyl - Methyl ester - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Azacycle - Organic transition metal salt - Carboxylic acid derivative - Organic metal halide - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organic oxygen compound - Organobromide - Organic zwitterion - Carbonyl group - Organic salt - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as metalloporphyrins. These are polycyclic compounds containing a porphyrin moiety and a metal atom.
External Descriptors
Not available