Compound Identification
SMILES
CC1C(CSC2=CC=CC=N2)OC(OC1C1=CC=C(CO)C=C1)C1=CC=CC(=C1)C1=CC(CNC(=O)NCC2=CC=CC=C2)=CC=C1
InChIKey
InChIKey=IBBIGPMDXHAIAV-UHFFFAOYSA-N
Formula
C39H39N3O4S
Mass
645.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Biphenyls and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Biphenyls and derivatives
Alternative Parents
Benzyl alcohols Alkylarylthioethers 1,3-dioxanes Pyridines and derivatives Heteroaromatic compounds Ureas Sulfenyl compounds Acetals Azacyclic compounds Oxacyclic compounds Carbonyl compounds Aromatic alcohols Primary alcohols Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Biphenyl - Aryl thioether - Benzyl alcohol - Alkylarylthioether - Meta-dioxane - Pyridine - Heteroaromatic compound - Urea - Acetal - Thioether - Sulfenyl compound - Oxacycle - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organic oxide - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic alcohol - Alcohol - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
External Descriptors
Not available