Compound Identification
SMILES
[Ni++].COC(=O)CCC1=C2[N-]C(C=C3N=C(C=C4[N-]C(=CC5=NC(=C2)C(CCC(=O)OC)=C5C)C2=C4C=CC4=CC=CC=C24)C2=C3C3=CC=CC=C3C=C2)=C1C
InChIKey
InChIKey=XXGQGGWCLHAUNA-UHFFFAOYSA-N
Formula
C46H36N4NiO4
Mass
767.511
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
Naphthalenes Isoindoles Fatty acid esters Substituted pyrroles Dicarboxylic acids and derivatives Methyl esters Heteroaromatic compounds Organic transition metal salts Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Porphyrin - Naphthalene - Isoindole - Isoindole or derivatives - Fatty acid ester - Dicarboxylic acid or derivatives - Substituted pyrrole - Benzenoid - Fatty acyl - Methyl ester - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic transition metal salt - Organic zwitterion - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organooxygen compound - Carbonyl group - 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