Compound Identification
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C1=CC=C(S1)C1=CC=C(S1)N1C3=C(C=C(C=C3)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)C3=C1C=CC(=C3)C1=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C1)C(=O)O2
InChIKey
InChIKey=NTZSTSRPKXMPLC-UHFFFAOYSA-N
Formula
C65H42N2O2S2
Mass
947.18
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Pyrenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Pyrenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrenes
Alternative Parents
Phenanthrenes and derivatives Carbazoles Coumarins and derivatives 1-benzopyrans Bi- and oligothiophenes Naphthalenes Indoles Dialkylarylamines Pyranones and derivatives 2,5-disubstituted thiophenes Substituted pyrroles Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrene - Phenanthrene - Carbazole - Coumarin - Benzopyran - Bithiophene - Naphthalene - 1-benzopyran - Indole - Indole or derivatives - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 2,5-disubstituted thiophene - Pyranone - Pyran - Substituted pyrrole - Heteroaromatic compound - Thiophene - Pyrrole - Lactone - Tertiary amine - Organoheterocyclic compound - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
External Descriptors
Not available