Compound Identification
SMILES
CC.CC.CC(OC1=CC(=O)C(C=C1)=C1N=C(NC(=N1)C1=C(C)C(C)=C(C)C(C)=C1C)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[B]C[B]C(=O)C(C)OC1=CC(=O)C(C=C1)=C1N=C(NC(=N1)C1=C(C)C(C)=C(C)C(C)=C1C)C1=C(C)C(C)=C(C)C(C)=C1C
InChIKey
InChIKey=ULPCQOXBEQSOEF-UHFFFAOYSA-N
Formula
C73H90B2N6O6
Mass
1169.18
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
-
Level 7
Quinomethanes
- Level 8 O-quinomethanes
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Level 7
Quinomethanes
-
Level 6
Cyclic ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones - Quinomethanes
Direct Parent
O-quinomethanes
Alternative Parents
Imidolactams Benzene and substituted derivatives 1,3,5-triazines Vinylogous esters Ketene acetals Propargyl-type 1,3-dipolar organic compounds Organic metalloid salts Carboximidamides Carboxamidines Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines Alkylboranes Saturated hydrocarbons
Molecular Framework
Not available
Substituents
O-quinomethane - Monocyclic benzene moiety - Triazine - Benzenoid - Imidolactam - 1,3,5-triazine - Vinylogous ester - Ketene acetal or derivatives - Organic metalloid salt - Carboxylic acid amidine - Amidine - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic metalloid moeity - Organic nitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Alkylborane - Saturated hydrocarbon - Hydrocarbon - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.
External Descriptors
Not available