Compound Identification
SMILES
[Ca++].CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=NZNBSZCFYQZNAR-SVWYKLQNSA-L
Formula
C86H89CaClF2N4O14
Mass
1516.2
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
-
Subclass
Substituted pyrroles
-
Level 5
Phenylpyrroles
- Level 6 Diphenylpyrroles
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Level 5
Phenylpyrroles
-
Subclass
Substituted pyrroles
-
Class
Pyrroles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Phenylpyrroles
Direct Parent
Diphenylpyrroles
Alternative Parents
Benzophenones Aromatic anilides Diphenylmethanes Aryl-phenylketones Phenoxyacetic acid derivatives Medium-chain hydroxy acids and derivatives Phenoxy compounds Phenol ethers Pyrrole carboxamides Medium-chain fatty acids Benzoyl derivatives Alkyl aryl ethers Beta hydroxy acids and derivatives Chlorobenzenes Fluorobenzenes Halogenated fatty acids Heterocyclic fatty acids Hydroxy fatty acids Aryl chlorides Aryl fluorides Heteroaromatic compounds Vinylogous amides Carboxylic acid salts Carboxylic acid esters Secondary alcohols Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic calcium salts Organic metal halides Hydrocarbon derivatives Organic oxides Organic zwitterions Organochlorides Organofluorides Organonitrogen compounds
Molecular Framework
Not available
Substituents
2,3-diphenylpyrrole - Aromatic anilide - Benzophenone - Diphenylmethane - Aryl-phenylketone - Phenoxyacetate - Medium-chain hydroxy acid - Phenol ether - Pyrrole-3-carboxamide - Pyrrole-3-carboxylic acid or derivatives - Benzoyl - Phenoxy compound - Medium-chain fatty acid - Aryl ketone - Hydroxy fatty acid - Heterocyclic fatty acid - Halogenated fatty acid - Halobenzene - Fluorobenzene - Alkyl aryl ether - Chlorobenzene - Beta-hydroxy acid - Aryl chloride - Aryl fluoride - Aryl halide - Fatty acyl - Fatty acid - Hydroxy acid - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid salt - Secondary carboxylic acid amide - Secondary alcohol - Ketone - Organic metal halide - Ether - Organic calcium salt - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Organic salt - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as diphenylpyrroles. These are aromatic heterocyclic compounds with a structure based on a pyrrole ring linked to exactly two phenyl groups.
External Descriptors
Not available