Compound Identification
SMILES
COCCOCN1C2=C3C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%20=C%21C%22=C%23C%24=C%25C(=C4C4=C6C6=C%26C4=C%25C4=C%25C%27=C(C(C%28=C%27C%27=C(C%14=C%16%28)C%12=C(C%27=C%26%25)C6=C7%11)=C%17%20)C%21=C%244)C3=C%23C3=C2C2=C(C4=C(C(C%15=C%184)=C%10%13)C9=C2C1=C58)C%19=C%223
InChIKey
InChIKey=KVMRAINLNFBJEN-UHFFFAOYSA-N
Formula
C74H9NO2
Mass
943.891
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Pyrenes
- Subclass Benzopyrenes
-
Class
Pyrenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Pyrenes
Subclass
Benzopyrenes
Intermediate Tree Nodes
Not available
Direct Parent
Benzopyrenes
Alternative Parents
Triphenylenes Naphthacenes Chrysenes Benzacridines Aporphines Dibenzazepines Phenanthridines and derivatives Isoquinolines and derivatives Azepines Pyridines and derivatives Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-a-pyrene - Benzo-e-pyrene - Aporphine - Benz-a-acridine - Chrysene - Tetracene - Triphenylene - Dibenzazepine - Acridine - Benzoquinoline - Phenanthridine - Phenanthrene - Benzazepine - Isoquinoline - Quinoline - Alkaloid or derivatives - Azepine - Pyridine - Heteroaromatic compound - Ether - Dialkyl ether - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzopyrenes. These are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system.
External Descriptors
Not available