Compound Identification
SMILES
[Ni++].CC1=CC(C)=C(C(C)=C1)C1=C2C=CC(=N2)C(=C2[N-]C(C=C2)=C(C2=NC(C=C2)=C(C2=CC=C1[N-]2)C1=C(Cl)N=CN=C1Cl)C1=C(C)C=C(C)C=C1C)C1=CC=C(OCC2=CC=CC=C2)C=C1
InChIKey
InChIKey=FKIIKJITPCULLR-UHFFFAOYSA-N
Formula
C55H42Cl2N6NiO
Mass
932.58
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
Phenoxy compounds Phenol ethers Halopyrimidines Alkyl aryl ethers Aryl chlorides Pyrroles Heteroaromatic compounds Organic transition metal salts Organic metal halides Azacyclic compounds Organonitrogen compounds Organochlorides Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Porphyrin - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halopyrimidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Pyrrole - Heteroaromatic compound - Organic metal halide - Ether - Organic transition metal salt - Azacycle - Organic zwitterion - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - 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