9-{4-[4-(9H-carbazol-9-yl)phenyl]phenyl}-9H-carbazole

• ChemBase编号: 139902
• 分子式: C36H24N2
• 平均质量: 484.58916
• 单一同位素质量: 484.19394878
• SMILES: c1ccc2c(c1)c1ccccc1n2c1ccc(cc1)c1ccc(cc1)n1c2ccccc2c2c1cccc2
• Canonical SMILES: c1ccc2c(c1)n(c1ccc(cc1)c1ccc(cc1)n1c3ccccc3c3c1cccc3)c1c2cccc1
• InChI: InChI=1S/C36H24N2/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38/h1-24H
• InChIKey: VFUDMQLBKNMONU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 9-{4-[4-(9H-carbazol-9-yl)phenyl]phenyl}-9H-carbazole
• IUPAC传统名: 9-{4-[4-(carbazol-9-yl)phenyl]phenyl}carbazole
• 别名: 4,4'-二(9-咔唑)联苯; 4,4'-二咔唑-9-基联苯; 4,4'-双(N-咔唑)-1,1'-联苯; CBP; DCBP; 4,4′-Bis(9-carbazolyl)-1,1′-biphenyl; 4,4-N,N′-Dicarbazole-1,1′-biphenyl; 4,4′-Bis(N-carbazolyl)-1,1′-biphenyl; 4,4'-bis(n-carbazolyl)-1,1'-biphenyl

登记号

• CAS号: 58328-31-7
• MDL号: MFCD00093417
• PubChem SID: 24884461; 162234149
• PubChem CID: 11248716

理论计算性质

• LogD (pH = 7.4): 9.6190195
• Log P: 9.6190195
• 摩尔折射率: 176.0098 cm^3
• 极化性: 68.22768 Å^3
• 极化表面积: 9.86 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 9.6190195

分子性质

理化性质

• 熔点: 277.9 °C (typical, DSC); 281-285 °C
• 紫外吸收波长: λmax 532 nm
• 轨道能量: HOMO 6 eV; LUMO 2.9 eV

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 37/38-41
• 安全公开号: 26-36/39
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H315-H318-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 97%; 98%; 99.9% trace metals basis
• 级别: sublimed grade
• 干燥失重: 0.5 wt. % loss on heating, 279.6 °C (typical, TGA)
• OLED Device Performance: ITO/HMPD/CBP:Ir(ppy)3 (6%)/Alq3/Mg:Ag1• Color: green• Max. Luminance: 100 Cd/m2• Max. EQE: 9 %; ITO/HMPD/CBP:Ir(ppy)3 (6%)/Alq3/Mg:Ag6• Color: green• Max. Luminance: 100 Cd/m2• Max. EQE: 9 %; ITO/MoO3/CBP/CBP:Ir(ppy)2(acac) (6%)/TPBI/LiF/Al2• Color: green• Max. Luminance: ~100000 Cd/m2• Max. EQE: 24.5 %• Turn-On Voltage: 3.65 V; ITO/MoO3/CBP/CBP:Ir(ppy)2(acac) (6%)/TPBI/LiF/Al7• Color: green• Max. Luminance: ~100000 Cd/m2• Max. EQE: 24.5 %• Turn-On Voltage: 3.65 V; ITO/NPD/CBP:Ir(ppy)3 (6%)/Alq3/Mg:Ag3• Color: green• Max. Luminance: 100000 Cd/m2• Max. EQE: 8 %• Turn-On Voltage: 4.3 V; ITO/NPD/CBP:Ir(ppy)3 (6%)/niBr/Alq3/Mg:Ag4• Color: green• Max. EQE: 0.3 %• Turn-On Voltage: 4.5 V; ITO/NPD/CBP:Ir(ppy)3 (6%)/niBr/Alq3/Mg:Ag8• Color: green• Max. EQE: 0.3 %• Turn-On Voltage: 4.5 V; ITO/NPD/CBP:Ir(ppy)3/BCP/Alq3/Mg:Al3• Color: green• Max. Luminance: 100000 Cd/m2• Max. EQE: 8 %• Turn-On Voltage: 4.3 V; ITO/PEDOT:PSS/NPD/CBP:Ir(piq)3 (6 wt%)/Alq3/LiF/Al4• Color: red• Max. Luminance: 20000 Cd/m2• Max. EQE: 8.1 %• Turn-On Voltage: 5.9 V; ITO/PEDOT:PSS/NPD/CBP:Ir(piq)3 (6 wt%)/Alq3/LiF/Al5• Color: red• Max. Luminance: 20000 Cd/m2• Max. EQE: 8.1 %• Turn-On Voltage: 5.9 V; ITO/TAPC/CBP:FIrpic (6%)/PO14/LiF/Al5• Color: blue• Max. EQE: 12.5 %; ITO/TAPC/CBP:FIrpic (6%)/PO14/LiF/Al6• Color: blue• Max. EQE: 12.5 %
• Empirical Formula (Hill Notation): C36H24N2

详细说明

Sigma Aldrich - 660124

Application
用作高效红色 OLED1 和树枝状电致发光复合物2 的空穴传输材料。
包装
1 g in glass bottle
5 g in poly bottle
Protocols & Applications
Organic Semiconductor Laser Materials

Sigma Aldrich - 699195

General description
根据要求可进行 TGA/DSC 指定批次追溯
包装
1, 5 g in glass bottle