Compound Identification
SMILES
[Ni++].CC[C@]12[C@@H]3N(C)C4=C(C=C(C=O)C=C4)[C@@]1(C)C1=CC4=NC(=CC5=C(CCC(=O)OC)C(C)=C([N-]5)C=C5C=C(C)C(=N5)C(=CC3=C=[N-])C2=N1)C(CCC(=O)OC)=C4C
InChIKey
InChIKey=MSRUDAYLOBNKIY-DHSQEVSNSA-N
Formula
C46H44N6NiO5
Mass
819.588
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Tetrapyrroles and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tetrapyrroles and derivatives
Alternative Parents
Pyrrolo[2,3,4-kl]acridines Hydroquinolines Indoles and derivatives Dialkylarylamines Aralkylamines Aryl-aldehydes Fatty acid esters Benzenoids Dicarboxylic acids and derivatives Substituted pyrroles Methyl esters Heteroaromatic compounds Pyrrolines Ketimines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic transition metal salts Organic oxides Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetrapyrrole skeleton - Pyrrolo[2,3,4-kl]acridine - Acridine - Benzoquinoline - Tetrahydroquinoline - Indole or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Fatty acid ester - Aralkylamine - Aryl-aldehyde - Dicarboxylic acid or derivatives - Substituted pyrrole - Fatty acyl - Benzenoid - Methyl ester - Heteroaromatic compound - Pyrrole - Pyrroline - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Ketimine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic transition metal salt - Azacycle - Imine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Organic salt - Carbonyl group - Organic oxygen compound - Organic zwitterion - Aldehyde - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetrapyrroles and derivatives. These are polycyclic aromatic compounds containing four pyrrole rings joined by one-carbon units linking position 2 of one pyrrole ring to position 5 of the next.
External Descriptors
Not available