Compound Identification
SMILES
[Ca].OS(=O)(=O)C1=CC=CC=C1.CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC.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=JCTFHWDJWQBYER-NABGBWDESA-N
Formula
C59H66CaClFN4O13S
Mass
1165.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
-
Subclass
Substituted pyrroles
-
Level 5
Phenylpyrroles
- Level 6 Diphenylpyrroles
-
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
Aromatic anilides Benzenesulfonic acids and derivatives Benzenesulfonyl compounds Dihydropyridinecarboxylic acids and derivatives Medium-chain hydroxy acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Medium-chain fatty acids Pyrrole carboxamides Beta hydroxy acids and derivatives Chlorobenzenes Fluorobenzenes Halogenated fatty acids Heterocyclic fatty acids Hydroxy fatty acids Aryl fluorides Aryl chlorides Dicarboxylic acids and derivatives Methyl esters Organosulfonic acids Sulfonyls Heteroaromatic compounds Enoate esters Vinylogous amides Secondary carboxylic acid amides Secondary alcohols Amino acids and derivatives Dialkylamines Dialkyl ethers Carboxylic acids Enamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organochlorides Organofluorides
Molecular Framework
Not available
Substituents
2,3-diphenylpyrrole - Aromatic anilide - Benzenesulfonate - 1-sulfo,2-unsubstituted aromatic compound - Dihydropyridinecarboxylic acid derivative - Benzenesulfonyl group - Medium-chain hydroxy acid - Arylsulfonic acid or derivatives - Pyrrole-3-carboxylic acid or derivatives - Medium-chain fatty acid - Pyrrole-3-carboxamide - Halogenated fatty acid - Chlorobenzene - Beta-hydroxy acid - Halobenzene - Fluorobenzene - Dihydropyridine - Heterocyclic fatty acid - Hydroxy fatty acid - Aryl chloride - Aryl fluoride - Aryl halide - Hydropyridine - Hydroxy acid - Fatty acyl - Fatty acid - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Enoate ester - Methyl ester - Sulfonyl - Vinylogous amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Carboxylic acid ester - Amino acid or derivatives - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Enamine - Ether - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Carbonyl group - Primary amine - Amine - Organic oxygen compound - Organic oxide - Organofluoride - Organochloride - Organohalogen compound - Primary aliphatic amine - Hydrocarbon derivative - Alcohol - 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