Compound Identification
SMILES
CC(CO)(CO)NCC1=CC2=C(C3=C(C=CS3)C=C2)C2=CC=CC=C12
InChIKey
InChIKey=HXRBCPSLLGWHBA-UHFFFAOYSA-N
Formula
C21H21NO2S
Mass
351.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenanthrenes and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenanthrenes and derivatives
Alternative Parents
Naphthothiophenes 1-benzothiophenes Aralkylamines Thiophenes Heteroaromatic compounds 1,2-aminoalcohols Dialkylamines Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenanthrene - Naphthothiophene - Naphthalene - Benzothiophene - 1-benzothiophene - Aralkylamine - Thiophene - Heteroaromatic compound - 1,2-aminoalcohol - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
External Descriptors
Not available