N4,N4′-Bis(4-ethenylphenyl)-N4,N4′-di-1-naphthalenyl-[1,1′-biphenyl]-4,4′-diamine CAS: # 1010396-31-2; ChemWhat Code: 17504
Identification
| Product Name | N4,N4′-Bis(4-ethenylphenyl)-N4,N4′-di-1-naphthalenyl-[1,1′-biphenyl]-4,4′-diamine |
| IUPAC Name | N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine |
| Molecular Structure |  |
| CAS Registry Number | 1010396-31-2 |
| Synonyms | 1010396-31-2 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 Formula | C48H36N2 |
| Molecular Weight | 640.8 |
| InChI | InChI=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 Key | WTEWXIOJLNVYBZ-UHFFFAOYSA-N |
| Isomeric SMILES | CC=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 ID | Title | Publication Date |
| KR2016/59609 | DISPLAY DEVICE USING A COMPOSITION FOR ORGANIC ELECTRONIC ELEMENT, AND AN ORGANIC ELECTRONIC ELEMENT THEREOF | 2016 |
| WO2013/98175 | CROSSLINKABLE ARYLAMINE COMPOUNDS | 2013 |
Physical Data
| Appearance | Yellow 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](https://www.chemwhat.com/wp-content/uploads/2017/11/N4N4-Bis4-ethenylphenyl-N4N4-di-1-naphthalenyl-11-biphenyl-44-diamine-CAS-1010396-31-2.png)
| Conditions | Yield |
| 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 Weight | 640.827 |
| logP | 15.05 |
| HBA | 2 |
| HBD | 0 |
| Matching Lipinski Rules | 2 |
| Veber rules component | |
| Polar Surface Area (PSA) | 6.48 |
| Rotatable Bond (RotB) | 9 |
| Matching Veber Rules | 2 |
| 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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Approved Manufacturers | |
| Warshel Chemical Ltd | http://www.warshel.com/ |
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