Compound Identification
SMILES
[Ni++].CN1C(=O)[C@@H]2CC=C[C@@H]([C@@H]2C1=O)C1=CC2=NC1=C(C1=CC=C([N-]1)C(=C1[N-]C(C=C1)=C(C1=NC(C=C1)=C2C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=INWQITPPCKVJPT-IQYQWXGBSA-N
Formula
C53H37N5NiO2
Mass
834.605
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
Isoindolones Isoindoles Substituted pyrroles Pyrrolidine-2-ones Benzene and substituted derivatives N-substituted carboxylic acid imides N-alkylpyrrolidines Dicarboximides Heteroaromatic compounds Lactams Organic transition metal salts Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Porphyrin - Isoindolone - Isoindoline - Isoindole - Isoindole or derivatives - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Substituted pyrrole - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Pyrrole - Heteroaromatic compound - Dicarboximide - Carboxylic acid imide - Lactam - Carboxylic acid derivative - Azacycle - Organic transition metal salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic zwitterion - Organic nitrogen compound - Organic salt - 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