Compound Identification
SMILES
[H]OC1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])C2=C(C([H])=C([H])N2[H])N1C1([H])C([H])([H])C2([H])C([H])([H])C([H])([H])C([H])([H])C([H])(O[H])C2([H])N([H])C11C([H])([H])C([H])(C([H])=O)C2(C1([H])[H])C([H])([H])C1([H])C([H])=C3C4=C(C5=C([H])C([H])=C([H])C([H])=C5N4[H])C([H])([H])C#CC([H])([H])C(=O)OC([H])(C([H])([H])C([H])([H])C4=C([H])C([H])=C(O[H])C(OC([H])([H])C([H])([H])O[H])=C4[H])C([H])([H])C(=O)C([H])([H])C([H])(C4=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C34)C1([H])C1([H])C([H])([H])C([H])([H])C([H])(O[H])C([H])([H])C21[H]
InChIKey
InChIKey=SQNQXUWUXQEQNI-UHFFFAOYSA-N
Formula
C72H78N4O12
Mass
1191.432
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrroles
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Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
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Subclass
Substituted pyrroles
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Class
Pyrroles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrroles
Alternative Parents
Quinolidines Azaspirodecane derivatives 3-alkylindoles Phenoxy compounds Anisoles Aralkylamines Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Piperidines Heteroaromatic compounds Secondary alcohols Lactones Cyclic ketones Cyclic alcohols and derivatives Carboxylic acid esters Amino acids and derivatives 1,2-aminoalcohols Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrole - Quinolidine - 3-alkylindole - Azaspirodecane - Indole or derivatives - Indole - Phenoxy compound - Phenol ether - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Phenol - Alkyl aryl ether - Benzenoid - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - Cyclic alcohol - Cyclic ketone - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Amino acid or derivatives - 1,2-aminoalcohol - Oxacycle - Azacycle - Secondary amine - Polyol - Monocarboxylic acid or derivatives - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aldehyde - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
External Descriptors
Not available