Compound Identification
SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)C3C45C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%15C%16=C%12C%10=C%10C%12=C%17C%18=C%19C(C%15=C%15C%20=C%14C%14=C%13C%13=C%11C8=C8C%13=C%11C%14=C%13C%20=C%14C%15=C%19C%15=C%18C%18=C(C%19=C%15C%14=C%14C%13=C%11C(=C68)C4=C%19%14)C35C3=C%18C%17=C%10C9=C73)=C%16%12)C(=O)N2[C@H]1C(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=PCHMNJCYLJJJDS-LTCZOOFGSA-N
Formula
C77H18N2O4S
Mass
1067.06
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenanthrenes and derivatives
- Subclass Triphenylenes
-
Class
Phenanthrenes and derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenanthrenes and derivatives
Subclass
Triphenylenes
Intermediate Tree Nodes
Not available
Direct Parent
Triphenylenes
Alternative Parents
Chrysenes Penicillins Alpha amino acid esters N-acyl-alpha amino acids and derivatives Benzyloxycarbonyls Naphthalenes Cyclopropanecarboxylic acids and derivatives Thiazolidines Tertiary carboxylic acid amides Azetidines Secondary carboxylic acid amides Carboxylic acid esters Thiohemiaminal derivatives Azacyclic compounds Dialkylthioethers Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chrysene - Triphenylene - Penicillin - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Naphthalene - Benzyloxycarbonyl - Penam - Cyclopropanecarboxylic acid or derivatives - Monocyclic benzene moiety - Thiazolidine - Tertiary carboxylic acid amide - Beta-lactam - Carboxamide group - Secondary carboxylic acid amide - Azetidine - Lactam - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Dialkylthioether - Carboxylic acid derivative - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triphenylenes. These are compounds containing a triphenylene moiety, which consists of four fused benzene rings forming a 9,10-benzo[l]phenanthrene.
External Descriptors
Not available