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4,4',4''-Tris[phenyl(m-tolyl)amino]triphenylamine

Catalog Number
ACM124729982-2
CAS Number
124729-98-2
Product Name
4,4',4''-Tris[phenyl(m-tolyl)amino]triphenylamine
Structure
Category
Organic Light-Emitting Diode (OLED) Materials
Synonyms
m-MTDATA
IUPAC Name
4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
Molecular Weight
789.04
Molecular Formula
C57H48N4
Canonical SMILES
Cc1cccc(c1)N(c2ccccc2)c3ccc(cc3)N(c4ccc(cc4)N(c5ccccc5)c6cccc(C)c6)c7ccc(cc7)N(c8ccccc8)c9cccc(C)c9
InChI
InChI=1S/C57H48N4/c1-43-16-13-25-55(40-43)59(46-19-7-4-8-20-46)52-34-28-49(29-35-52)58(50-30-36-53(37-31-50)60(47-21-9-5-10-22-47)56-26-14-17-44(2)41-56)51-32-38-54(39-33-51)61(48-23-11-6-12-24-48)57-27-15-18-45(3)42-57/h4-42H,1-3H3
InChI Key
DIVZFUBWFAOMCW-UHFFFAOYSA-N
Melting Point
210 °C
Purity
>98.0%(N)
Appearance
Light orange to Yellow to Green powder to crystal
Application
Hole-transporting layer and Hole Injection layer material for High-Performance OLEDs.
Storage
Store under inert gas
Assay
0.98
Complexity
1090
Covalently-Bonded Unit Count
1
Exact Mass
788.387898g/mol
Form
powder
Formal Charge
0
Hazard Statements
H411 : Toxic to aquatic life with long lasting effects.
Heavy Atom Count
61
MDL Number
MFCD28291914
Monoisotopic Mass
788.387898g/mol
Packaging
1, 5 g in poly bottle
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.P391 : Collect spillage.
Rotatable Bond Count
12
Signal Word
Warning
XLogP3
16
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