Compound Identification
SMILES
OC(NC1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C=C4)=NCCC12CC3CC(C1)CC(C3)(C2)C1=CC2=C3OCCOC4=C5CC6=CC=CC7=C6OCCOC6=C(CC8=C9OCCOC%10=C(C7)C=CC=C%10CC7=C(OCCOC%10=C(CC9=CC(=C8)C89CC%11CC(CC(CCN=C(O)NC%12=C%13C=CC%14=CC=CC%15=C%14C%13=C(C=C%12)C=C%15)(C%11)C8)C9)C=CC=C%10CC3=C1)C(CC4=CC=C5)=CC=C7)C=CC=C6C2
InChIKey
InChIKey=TXFXNMYEACDEGY-UHFFFAOYSA-N
Formula
C122H112N4O10
Mass
1794.256
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 Naphthalenes Alkyl aryl ethers Isoureas Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrene - Phenanthrene - Naphthalene - Alkyl aryl ether - Isourea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Ether - Carboximidic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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