4-(1-Benzothiophen-2-yl)-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 4-(1-Benzothiophen-2-yl)-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene
• 英文别名: 4-(1-benzothiophen-2-yl)-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene
• 化学式: C₂₈H₁₆OS
• 分子量: 400.5
• InChiKey: IFBCDYMDUYAHIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  30
• 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：
  37.5
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• [EN] DIBENZOXANTHENE COMPOUND, ORGANIC LIGHT-EMITTING DEVICE, DISPLAY, IMAGE INFORMATION PROCESSOR, AND IMAGE-FORMING APPARATUS<br/>[FR] COMPOSÉ DE DIBENZOXANTHÈNE, DISPOSITIF ÉLECTROLUMINESCENT ORGANIQUE, AFFICHAGE, PROCESSEUR DE DONNÉES D'IMAGES, ET APPAREIL FORMANT DES IMAGES
  申请人：CANON KK

  公开号：WO2014007186A1

  公开（公告）日：2014-01-09

  Provided is a novel compound having a high lowest triplet excited level (T1 level), a narrow bandgap, and a shallow highest occupied molecular orbital (HOMO) level. A dibenzoxanthene compound is represented by formula [1] described in Claim 1. In formula [1], R1 to R7 are each independently selected from the group consisting of hydrogen, alkyl groups, aryl groups, heterocyclic groups, aryloxy groups, alkoxy groups, amino groups, silyl groups, and cyano groups.

  提供的是一种具有高最低三重激发能级（T1能级）、窄带隙和浅最高占据分子轨道（HOMO）能级的新化合物。其中，式[1]所述的二苯并噻吩化合物由权利要求1描述。在式[1]中，R1至R7分别独立地选自氢、烷基、芳基、杂环基、芳氧基、烷氧基、氨基、硅烷基和氰基的群组。
• DIBENZOXANTHENE COMPOUND, ORGANIC LIGHT-EMITTING DEVICE, DISPLAY, IMAGE INFORMATION PROCESSOR, AND IMAGE-FORMING APPARATUS
  申请人：CANON KABUSHIKI KAISHA

  公开号：US20150194609A1

  公开（公告）日：2015-07-09

  Provided is a novel compound having a high lowest triplet excited level (T1 level), a narrow bandgap, and a shallow highest occupied molecular orbital (HOMO) level. A dibenzoxanthene compound is represented by formula [1] described in Claim 1 . In formula [1], R 1 to R 7 are each independently selected from the group consisting of hydrogen, alkyl groups, aryl groups, heterocyclic groups, aryloxy groups, alkoxy groups, amino groups, silyl groups, and cyano groups.