Compound Identification
SMILES
CC(C)(C)OO[C@@]12C3=C4C5=C6C7=C8C9=C%10C%11=C%12C%13=C%10C7=C5C5=C%13C7=C%10C5=C4C1=C1C%10=C4C5=C%10C(C%12=C75)=C5C%11=C7C9=C9C8=C8C6=C3[C@]36O[C@]33C2=C2[C@@]1(OOC(C)(C)C)C4=C1C%10=C4C5=C7C5=C9C(=C86)[C@@]6(OOC(C)(C)C)C5=C4[C@]1(OOC(C)(C)C)[C@]2(O)[C@@]36OOC(C)(C)C
InChIKey
InChIKey=VHUABYLEHOLWPR-WMQRSVCKSA-N
Formula
C80H46O12
Mass
1199.236
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenanthrenes and derivatives
- Subclass Triphenylenes
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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 Aryltetralin lignans Phenanthrols Tetralins Naphthalenes Tertiary alcohols Dialkyl peroxides Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chrysene - Triphenylene - 1-aryltetralin lignan - Phenanthrol - Naphthalene - Tetralin - Tertiary alcohol - Dialkyl peroxide - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - 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