Compound Identification
SMILES
[Fe++].[Cu+].[O-]S(=O)(=O)C(F)(F)F.O=C(NC1=CC=CC=C1C1=C2C=CC(=N2)C2=C3[N-]C(C=C3)=C3C4=NC(C=C4)=C(C4=CC=C1[N-]4)C1=CC=CC=C1NC(=O)CCN1CCN(CCN(CC1)CCC(=O)NC1=CC=CC=C31)CCC(=O)NC1=CC=CC=C21)C1=CC(CN2C=CN=C2)=CC=C1
InChIKey
InChIKey=KEDIHIYJWMXUHN-UHFFFAOYSA-K
Formula
C71H61CuF3FeN13O7S
Mass
1416.8
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
Class
Tetrapyrroles and derivatives
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Subclass
Metallotetrapyrroles
- Level 5 Metalloporphyrins
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Subclass
Metallotetrapyrroles
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Class
Tetrapyrroles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Tetrapyrroles and derivatives
Subclass
Metallotetrapyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Metalloporphyrins
Alternative Parents
Porphyrins Benzanilides Benzamides Trifluoromethanesulfonates Benzoyl derivatives N-substituted imidazoles Heteroaromatic compounds Sulfonyls Methanesulfonates Pyrroles Organosulfonic acids Trihalomethanes Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Lactams Azacyclic compounds Organic metal halides Carbonyl compounds Hydrocarbon derivatives Organic copper salts Organic oxides Organic zwitterions Organofluorides Alkyl fluorides
Molecular Framework
Not available
Substituents
Metalloporphyrin - Porphyrin - Benzanilide - Aromatic anilide - Benzamide - Benzoic acid or derivatives - Trifluoromethanesulfonate - Benzoyl - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - Azole - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Imidazole - Heteroaromatic compound - Methanesulfonate - Amino acid or derivatives - Secondary carboxylic acid amide - Trihalomethane - Tertiary amine - Carboxamide group - Lactam - Tertiary aliphatic amine - Organic metal halide - Azacycle - Carboxylic acid derivative - Organic transition metal salt - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - Organic nitrogen compound - Organic copper salt - Amine - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Halomethane - Organic oxide - Alkyl fluoride - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as metalloporphyrins. These are polycyclic compounds containing a porphyrin moiety and a metal atom.
External Descriptors
Not available