7-Methyl-4-[16-methyl-9,9,19,19-tetra(pentadecyl)-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3(11),4(8),6,12,14(18),16-heptaen-6-yl]-2,1,3-benzothiadiazole

• 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: 7-Methyl-4-[16-methyl-9,9,19,19-tetra(pentadecyl)-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3(11),4(8),6,12,14(18),16-heptaen-6-yl]-2,1,3-benzothiadiazole
• 英文别名: 7-methyl-4-[16-methyl-9,9,19,19-tetra(pentadecyl)-10,20-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3(11),4(8),6,12,14(18),16-heptaen-6-yl]-2,1,3-benzothiadiazole
• 化学式: C₈₄H₁₃₆N₂O₂S₃
• 分子量: 1302.2
• InChiKey: XVTRLADVFDJUDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  36.7
• 重原子数：
  91
• 可旋转键数：
  57
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  129
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• POLYMER COMPOUND AND ELECTRONIC DEVICE USING THE SAME
  申请人：Ohya Kenichiro

  公开号：US20140084217A1

  公开（公告）日：2014-03-27

  A polymer compound comprising a constituent unit represented by the formula (1), the formula (2), the formula (3) or the formula (4) can be utilized for producing an organic film solar battery showing high open end voltage: (in the formulae (1) to (4), Ar 1 represents a tri-valent aromatic carbocyclic group or a tri-valent aromatic heterocyclic group. Ar 2 represents a tetra-valent aromatic carbocyclic group or a tetra-valent aromatic heterocyclic group. Z represents —O—, —S—, —C(C═O)—, —S(═O)—, —SO 2 —, —Si(R) 2 —, —N(R)—, —B(R)—, —P(R)— or —P(═O)(R)—. R represents a hydrogen atom, a halogen atom or a mono-valent group.).
• US9396831B2
  申请人：——

  公开号：US9396831B2

  公开（公告）日：2016-07-19