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1,4-Bis[4-(N,N-diphenylamino)styryl]benzene

Catalog Number
ACM55035422-2
CAS Number
55035-42-2
Product Name
1,4-Bis[4-(N,N-diphenylamino)styryl]benzene
Category
Organic Light-Emitting Diode (OLED) Materials
Synonyms
DSA-Ph
IUPAC Name
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
Molecular Weight
616.81
Molecular Formula
C46H36N2
Canonical SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C=CC4=CC=C(C=C4)C=CC5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C46H36N2/c1-5-13-41(14-6-1)47(42-15-7-2-8-16-42)45-33-29-39(30-34-45)27-25-37-21-23-38(24-22-37)26-28-40-31-35-46(36-32-40)48(43-17-9-3-10-18-43)44-19-11-4-12-20-44/h1-36H/b27-25+,28-26+
InChI Key
ONFSYSWBTGIEQE-NBHCHVEOSA-N
Melting Point
172 °C
Purity
>98.0%(HPLC)(N)
Appearance
White to Orange to Green powder to crystal
Storage
Sealed in dry. Room temperature.
Complexity
823
Covalently-Bonded Unit Count
1
Exact Mass
616.287849g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
48
MDL Number
MFCD09835379
Monoisotopic Mass
616.287849g/mol
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Rotatable Bond Count
10
Signal Word
Warning
XLogP3
12.9
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