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N,N'-Di(9-phenanthrenyl)-N,N'-diphenylbenzidine

Catalog Number
ACM182507831-1
Product Name
N,N'-Di(9-phenanthrenyl)-N,N'-diphenylbenzidine
Structure
CAS
182507-83-1
Category
Organic Light-Emitting Diode (OLED) Materials
Synonyms
N,N'-Bis(9-phenanthrenyl)-N,N'-diphenylbenzidine
IUPAC Name
N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine
Molecular Weight
688.87
Molecular Formula
C52H36N2
Canonical SMILES
C1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC6=CC=CC=C6C7=CC=CC=C75)C8=CC9=CC=CC=C9C1=CC=CC=C18
InChI
InChI=1S/C52H36N2/c1-3-17-41(18-4-1)53(51-35-39-15-7-9-21-45(39)47-23-11-13-25-49(47)51)43-31-27-37(28-32-43)38-29-33-44(34-30-38)54(42-19-5-2-6-20-42)52-36-40-16-8-10-22-46(40)48-24-12-14-26-50(48)52/h1-36H
InChI Key
LBFXFIPIIMAZPK-UHFFFAOYSA-N
Melting Point
293 °C
Purity
>98.0%(N)
Appearance
White to Yellow to Green powder to crystal
Storage
Store under inert gas
Complexity
1060
Covalently-Bonded Unit Count
1
Exact Mass
688.287849g/mol
Formal Charge
0
Hazard Statements
H411 : Toxic to aquatic life with long lasting effects.
Heavy Atom Count
54
MDL Number
MFCD03093245
Monoisotopic Mass
688.287849g/mol
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
7
Signal Word
Warning
XLogP3
15
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