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1,3,5-Tris(4'-fluorobiphenyl-4-yl)benzene

Catalog Number
ACM372956406-2
Product Name
1,3,5-Tris(4'-fluorobiphenyl-4-yl)benzene
CAS
372956-40-6
Category
Organic Light-Emitting Diode (OLED) Materials
Synonyms
4,4''''-Difluoro-5''-(4'-fluoro-[1,1'-biphenyl]-4-yl)-1,1':4',1'':3'',1''':4''',1''''-quinquephenyl
IUPAC Name
1,3,5-tris[4-(4-fluorophenyl)phenyl]benzene
Molecular Weight
588.67
Molecular Formula
C42H27F3
Canonical SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)F)C3=CC(=CC(=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)F)C6=CC=C(C=C6)C7=CC=C(C=C7)F
InChI
InChI=1S/C42H27F3/c43-40-19-13-31(14-20-40)28-1-7-34(8-2-28)37-25-38(35-9-3-29(4-10-35)32-15-21-41(44)22-16-32)27-39(26-37)36-11-5-30(6-12-36)33-17-23-42(45)24-18-33/h1-27H
InChI Key
KMIGKTQTBLIAJV-UHFFFAOYSA-N
Boiling Point
230 °C
Melting Point
230 °C
Purity
95%
Appearance
Soild
Storage
Store under inert gas
Complexity
730
Covalently-Bonded Unit Count
1
Exact Mass
588.206485g/mol
Formal Charge
0
Hazard Statements
H413 : May cause long lasting harmful effects to aquatic life.
Heavy Atom Count
45
MDL Number
MFCD28384132
Monoisotopic Mass
588.206485g/mol
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.
Rotatable Bond Count
6
XLogP3
12
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