Compound Identification
SMILES
[Ni++].COC(=O)C1=CN(C)C(C2=CC3=NC2=C(C2=CC=C([N-]2)C(=C2C=CC(=N2)C(=C2[N-]C(C=C2)=C3C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C2)=C1C(=O)OC
InChIKey
InChIKey=ISSGMYJFHHKTLR-UHFFFAOYSA-M
Formula
C53H37N5NiO4
Mass
866.603
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
Pyrrole carboxylic acids and derivatives N-methylpyrroles Benzene and substituted derivatives Vinylogous amides Methyl esters Heteroaromatic compounds Organic transition metal salts Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Porphyrin - Pyrrole-3-carboxylic acid or derivatives - Monocyclic benzene moiety - N-methylpyrrole - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Vinylogous amide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic transition metal salt - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic salt - Organic zwitterion - 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