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

식별물리적 데이터스펙트럼
Route of Synthesis (ROS)안전과 위험기타 데이터

식별

제품명N4,N4′-Bis(4-ethenylphenyl)-N4,N4′-di-1-naphthalenyl-[1,1′-biphenyl]-4,4′-diamine
IUPAC 이름N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine
분자 구조N4N4-Bis4-ethenylphenyl-N4N4-di-1-naphthalenyl-11-biphenyl-44-diamine-CAS-1010396-31-2
CAS 레지스트리 번호 1010396-31-2
동의어1010396-31-2
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
분자식C48H36N2
분자 무게640.8
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 키WTEWXIOJLNVYBZ-UHFFFAOYSA-N
이성질체 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
특허 정보
특허 IDTitle발행일
KR2016 / 59609 DISPLAY DEVICE USING A COMPOSITION FOR ORGANIC ELECTRONIC ELEMENT, AND AN ORGANIC ELECTRONIC ELEMENT THEREOF2016
WO2013 / 98175CROSSLINKABLE ARYLAMINE COMPOUNDS2013

물리적 데이터

외관황색 분말

스펙트럼

자료 없음

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
상태수율
With (diphenylphosphin)ferrocene; bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate In toluene at 80℃; for 1.5h;

실험적 절차
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%

안전과 위험

GHS 유해성 정보
분류되지 않음

기타 데이터

약물 유사성
리핀 스키 규칙 구성 요소
분자 무게640.827
로그P15.05
HBA2
HBD0
리핑 스키 규칙 일치2
Veber 규칙 구성 요소
극 표면적 (PSA)6.48
회전 가능 본드 (RotB)9
일치하는 Veber 규칙2
패턴 사용
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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