2-phenyl-4b-aza-12b-boradibenzo[g,p]chrysene

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-phenyl-4b-aza-12b-boradibenzo[g,p]chrysene
• 英文别名: 2-phenyl-4b-aza-12b-borazibenzo[g,p]chrysene；5-Phenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaene；5-phenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaene
• 化学式: C₃₀H₂₀BN
• 分子量: 405.306
• InChiKey: XVIYQULBKGAMDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.26
• 重原子数：
  32
• 可旋转键数：
  1
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-phenyl-4b-aza-12b-boradibenzo[g,p]chrysene 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氢呋喃 为溶剂， 以6.1 g的产率得到2-bromo-7-phenyl-4b-aza-12b-borazibenzo[g,p]chrysene
  参考文献：
  名称：

  Polycyclic aromatic compound and light emitting layer-forming composition

  摘要：

  The present invention addresses the problem of providing a polycyclic aromatic compound which has improved solubility in solvents, film formability, wet coatability and in-plane orientation. The above-described problem is solved by a composition for forming a light emitting layer, which contains, as a first component, at least one compound selected from the group consisting of compounds represented by general formula (A-1) and compounds represented by general formula (A-2), as a second component, at least one compound that has a triplet energy (E T ) of 1.8-3.0 eV, and as a third component, at least one organic solvent. In the formulae, R represents a hydrogen atom, an aryl group, a heteroaryl group, a diarylamino group, a diheteroarylamino group or an aryl heteroarylamino group.

  公开号：

  US11637250B2
• 作为产物：
  描述：

  2,4-二苯基苯胺 在 正丁基锂 、 [(4-(N,N-二甲氨基)苯基]二叔丁基膦 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 、 sodium t-butanolate 作用下， 以 正己烷 、 甲苯 为溶剂， 反应 20.5h， 生成 2-phenyl-4b-aza-12b-boradibenzo[g,p]chrysene
  参考文献：
  名称：

  Polycyclic aromatic compound and light emitting layer-forming composition

  摘要：

  The present invention addresses the problem of providing a polycyclic aromatic compound which has improved solubility in solvents, film formability, wet coatability and in-plane orientation. The above-described problem is solved by a composition for forming a light emitting layer, which contains, as a first component, at least one compound selected from the group consisting of compounds represented by general formula (A-1) and compounds represented by general formula (A-2), as a second component, at least one compound that has a triplet energy (E T ) of 1.8-3.0 eV, and as a third component, at least one organic solvent. In the formulae, R represents a hydrogen atom, an aryl group, a heteroaryl group, a diarylamino group, a diheteroarylamino group or an aryl heteroarylamino group.

  公开号：

  US11637250B2

文献信息

• Triplet-Energy Control of Polycyclic Aromatic Hydrocarbons by BN Replacement: Development of Ambipolar Host Materials for Phosphorescent Organic Light-Emitting Diodes
  作者：Sigma Hashimoto、Toshiaki Ikuta、Kazushi Shiren、Soichiro Nakatsuka、Jingping Ni、Masaharu Nakamura、Takuji Hatakeyama

  DOI：10.1021/cm503102d

  日期：2014.11.11

  In this work, we achieved the triplet-energy control of polycyclic aromatic hydrocarbons (PAHs) by replacing the Carbon-Carbon (CC) unit with a Boron-Nitrogen (BN) unit. Time-dependent density functional theory calculations suggested that the insertion of the BN unit may cause localization of the singly occupied molecular orbitals 1 and 2 (SOMO1/SOMO2) in the triplet state, which in turn can reduce the exchange interaction and dramatically increase the high singlettriplet excitation energy (E-T). The PAH containing the BN unit, 4b-aza-12b-boradibenzo[g,p]chrysene, showed a large ET value and ambipolar carrier-transport abilities. The introduction of a phenyl substituent on 4b-aza-12b-boradibenzo[g,p]chrysene slightly reduced the E-T values and the carrier-transport abilities, but increased the glass-transition temperatures. On the basis of these findings, we successfully built phosphorescent organic light-emitting diodes using the BN compounds as host materials, which exhibit a superior performance over the device using a representative host material, 4,4'-bis(N-carbazolyl)-1,1'-biphenyl, not only in terms of efficiency but also in terms of device lifetime. This study demonstrated the potential of BN-embedded polycyclic aromatics in organic electronics and showed a novel strategy to achieve triplet-energy control of aromatic compounds.
• Polycyclic aromatic compound and light emitting layer-forming composition
  申请人：Kwansei Gakuin Educational Foundation

  公开号：US11637250B2

  公开（公告）日：2023-04-25

  The present invention addresses the problem of providing a polycyclic aromatic compound which has improved solubility in solvents, film formability, wet coatability and in-plane orientation. The above-described problem is solved by a composition for forming a light emitting layer, which contains, as a first component, at least one compound selected from the group consisting of compounds represented by general formula (A-1) and compounds represented by general formula (A-2), as a second component, at least one compound that has a triplet energy (E T ) of 1.8-3.0 eV, and as a third component, at least one organic solvent. In the formulae, R represents a hydrogen atom, an aryl group, a heteroaryl group, a diarylamino group, a diheteroarylamino group or an aryl heteroarylamino group.