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3,5-Bis(3',5'-di-tert-butylstyryl)benzyl bromide

HCID 68545273
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)c1cc(C=Cc2cc(C=Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(CBr)c2)cc(C(C)(C)C)c1
InChIKey
UPZSDUUNARXLAJ-UHFFFAOYSA-N
Molecular formula
C39H51Br
Average molar mass
599.7 g/mol

Names & identifiers

Preferred name
3,5-Bis(3',5'-di-tert-butylstyryl)benzyl bromide
IUPAC
1-(bromomethyl)-3,5-bis[2-(3,5-ditert-butylphenyl)ethenyl]benzene

Names & synonyms

SCHEMBL3195098UPZSDUUNARXLAJ-UHFFFAOYSA-N3,5-bis(3',5'-di-tert-butylstyryl)benzyl bromide

Database identifiers

PubChem CID
68545273

Properties

Computed structural properties

XLogP
13.7
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
9
Heavy atoms
40
Formal charge
0
Complexity
722

Related reactions

4 records
New reaction record
HRID 6580 reaction equation
HRID 6580As productuspto-grants-2006_08
HRID 1178174 reaction equation
HRID 1178174As productuspto-grants-2007_10
HRID 2142601 reaction equation
HRID 2142601As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2245189 reaction equation
HRID 2245189As productuspto-grants-2010_03

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes