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N4,N4'-Bis(4-ethenylphenyl)-N4,N4'-di-1-naphthalenyl-[1,1'-biphenyl]-4,4'-diamine CAS: # 1010396-31-2
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NameN4,N4'-Bis(4-ethenylphenyl)-N4,N4'-di-1-naphthalenyl--4,4'-diamineIUPAC NameN-phenyl]-N-(4-ethenylphenyl)naphthalen-1-amineMolecular StructureCAS Registry Number 1010396-31-2Synonyms1010396-31-2VNPBN,N'-Bis(naphthalen-1-yl)-N,N'-bis(4-vinyl-phenyl)benzidineN4,N4'-Di(naphthalen-1-yl)-N4,N4'-bis(4-vinylphenyl)--4,4'-diaminen4,n4'-di(naphthalen-1-yl)-n4,n4'-bis(4-vinylphenyl)biphenyl-4,4'-diamineVNPB, AldrichCPR,N4' -bis(4-vinylphenyl)SCHEMBL255972,N4' -Di(naphthalen-1-yl)-N4DB-120372Molecular FormulaC48H36N2Molecular Weight640.8InChIInChI=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,1-2H2InChI KeyWTEWXIOJLNVYBZ-UHFFFAOYSA-NIsomeric 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 InformationPatent IDTitlePublication DateKR2016/59609 DISPLAY DEVICE USING A COMPOSITION FOR ORGANIC ELECTRONIC ELEMENT, AND AN ORGANIC ELECTRONIC ELEMENT THEREOF2016WO2013/98175CROSSLINKABLE ARYLAMINE COMPOUNDS2013

Physical Data

AppearanceYellow powder

Spectra

No data available

Route of Synthesis (ROS)

N4,N4'-Bis(4-ethenylphenyl)-N4,N4'-di-1-naphthalenyl--4,4'-diamine CAS: # 1010396-31-2

ConditionsYieldWith (diphenylphosphin)ferrocene; bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate In toluene at 80℃; for 1.5h;Experimental ProcedureSynthesis of Compound 1-1Compound 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 StatementsNot Classified

Other Data

DruglikenessLipinski rules componentMolecular Weight640.827logP15.05HBA2HBD0Matching Lipinski Rules2Veber rules componentPolar Surface Area (PSA)6.48Rotatable Bond (RotB)9Matching Veber Rules2

Use PatternN4,N4'-Bis(4-ethenylphenyl)-N4,N4'-di-1-naphthalenyl--4,4'-diamine CAS: # 1010396-31-2 is used OLED.
https://www.chemwhat.com/n4n4-bis4-ethenylphenyl-n4n4-di-1-naphthalenyl-11-biphenyl-44-diamine-cas-1010396-31-2/

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