Compound Identification
SMILES
CCOC(=O)C1(C(=O)OCC2=CC3=C(C=C2)C(=C2SC=CS2)C2=CC=CC=C2C3=C2SC=CS2)C23C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%10C8=C8C%10=C%15C%16=C%17C(C%13=C%13C%18=C%12C%12=C%11C%11=C9C6=C6C%11=C9C%12=C%11C%18=C%12C%13=C%17C%13=C%16C%16=C(C%17=C%13C%12=C%12C%11=C9C(=C46)C2=C%17%12)C13C1=C%16C%15=C8C7=C51)=C%14%10
InChIKey
InChIKey=IQFJJBKRSJMBDX-UHFFFAOYSA-N
Formula
C86H18O4S4
Mass
1243.33
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 Anthracenes P-quinodimethanes Dicarboxylic acids and derivatives Cyclopropanecarboxylic acids and derivatives 1,3-dithioles Thioenol ethers Carboxylic acid esters Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chrysene - Triphenylene - Anthracene - P-quinodimethane - Cyclopropanecarboxylic acid or derivatives - Dicarboxylic acid or derivatives - Dithiole - 1,3-dithiole - Carboxylic acid ester - Thioenolether - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - 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