N4,N4′-Bis(4-ethenylphenyl)-N4,N4′-di-1-naphthalenyl-[1,1′-biphenyl]-4,4′-diamine CAS: # 1010396-31-2; ChemWhat Code: 17504

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NameN4,N4′-Bis(4-ethenylphenyl)-N4,N4′-di-1-naphthalenyl-[1,1′-biphenyl]-4,4′-diamine
IUPAC NameN-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine
Molecular StructureN4N4-Bis4-ethenylphenyl-N4N4-di-1-naphthalenyl-11-biphenyl-44-diamine-CAS-1010396-31-2
CAS Registry Number 1010396-31-2
Synonyms1010396-31-2
VNPB
N,N’-Bis(naphthalen-1-yl)-N,N’-bis(4-vinyl-phenyl)benzidine
N4,N4′-Di(naphthalen-1-yl)-N4,N4′-bis(4-vinylphenyl)-[1,1′-biphenyl]-4,4′-diamine
n4,n4′-di(naphthalen-1-yl)-n4,n4′-bis(4-vinylphenyl)biphenyl-4,4′-diamine
VNPB, AldrichCPR
,N4′ -bis(4-vinylphenyl)
SCHEMBL255972
,N4′ -Di(naphthalen-1-yl)-N4
DB-120372
Molecular FormulaC48H36N2
Molecular Weight640.8
InChIInChI=1S/C48H36N2/c1-3-35-19-27-41(28-20-35)49(47-17-9-13-39-11-5-7-15-45(39)47)43-31-23-37(24-32-43)38-25-33-44(34-26-38)50(42-29-21-36(4-2)22-30-42)48-18-10-14-40-12-6-8-16-46(40)48/h3-34H,1-2H2
InChI KeyWTEWXIOJLNVYBZ-UHFFFAOYSA-N
Isomeric SMILESCC=CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C=C)C5=CC=CC6=CC=CC=C65)C7=CC=CC8=CC=CC=C87
Patent Information
Patent IDTitlePublication Date
KR2016/59609 DISPLAY DEVICE USING A COMPOSITION FOR ORGANIC ELECTRONIC ELEMENT, AND AN ORGANIC ELECTRONIC ELEMENT THEREOF2016
WO2013/98175CROSSLINKABLE ARYLAMINE COMPOUNDS2013

Physical Data

AppearanceYellow powder

Spectra

No data available

Route of Synthesis (ROS)

N4,N4'-Bis(4-ethenylphenyl)-N4,N4'-di-1-naphthalenyl-[1,1'-biphenyl]-4,4'-diamine CAS: # 1010396-31-2
N4,N4′-Bis(4-ethenylphenyl)-N4,N4′-di-1-naphthalenyl-[1,1′-biphenyl]-4,4′-diamine CAS: # 1010396-31-2
ConditionsYield
With (diphenylphosphin)ferrocene; bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate In toluene at 80℃; for 1.5h;

Experimental Procedure
Synthesis of Compound 1-1
Compound P-1 10.0 g was purified by sublimation, p- bromostyrene 10.1 g, bis (dibenzylideneacetone) palladium 0.53 g, 2-dimethylamino-2′-dicyclohexylphosphino biphenyl 0.39 g, sodium t-butoxide, 6.6g was stirred for 1.5 hours at 80 in toluene (115mL). The reaction solution was extracted with cooled ethyl acetate. The resulting organic phase was concentrated to give Compound 1 was purified by column chromatography with hexane / ethyl acetate as a developing solvent (hereinafter referred to as Compound 1-1). Mass after drying was 7.4 g (50.2% yield).		50.2%

Safety and Hazards

GHS Hazard Statements
Not Classified

Other Data

Druglikeness
Lipinski rules component
Molecular Weight640.827
logP15.05
HBA2
HBD0
Matching Lipinski Rules2
Veber rules component
Polar Surface Area (PSA)6.48
Rotatable Bond (RotB)9
Matching Veber Rules2
Use Pattern
N4,N4′-Bis(4-ethenylphenyl)-N4,N4′-di-1-naphthalenyl-[1,1′-biphenyl]-4,4′-diamine CAS: # 1010396-31-2 is used OLED.

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