Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C)=C(C(C)=C1)C1=CN=C(N=C1)C1=C(BOC2=C([O-])C=CC(=C2)C(C)(C)C)C=CC(=C1)C(C)(C)C

InChIKey

InChIKey=FOCYIBUBLSIESD-UHFFFAOYSA-M

Formula

C33H38BN2O2

Mass

505.49

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrimidines

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

5-phenylpyrimidine - Phenylpropane - Phenoxy compound - Phenoxide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organic metalloid moeity - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic anion - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

External Descriptors

Not available

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