4-[17-(4-Cyanophenyl)-26,33-di(propan-2-yl)-5-undecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetraconta-1(38),2,4(18),5,7,9,11(40),12,14,16,19,21,23,25,27,29,31,33,35(39),36-icosaenyl]benzonitrile

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 芳基萘木脂素
• 英文名称: 4-[17-(4-Cyanophenyl)-26,33-di(propan-2-yl)-5-undecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetraconta-1(38),2,4(18),5,7,9,11(40),12,14,16,19,21,23,25,27,29,31,33,35(39),36-icosaenyl]benzonitrile
• 英文别名: 4-[17-(4-cyanophenyl)-26,33-di(propan-2-yl)-5-undecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetraconta-1(38),2,4(18),5,7,9,11(40),12,14,16,19,21,23,25,27,29,31,33,35(39),36-icosaenyl]benzonitrile
• 化学式: C₆₀H₃₈N₂
• 分子量: 787.0
• InChiKey: ZTFHBXZTPDEVDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.9
• 重原子数：
  62
• 可旋转键数：
  4
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• NOVEL ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE, AND DISPLAY APPARATUS
  申请人：Kamatani Jun

  公开号：US20140225968A1

  公开（公告）日：2014-08-14

  The present invention provides a novel organic compound having a high quantum yield and a high color purity. Provided is an organic compound represented by Formula (1) described in Claim 1 . In Formula (1), R 1 to R 20 are each independently selected from hydrogen atoms, halogen atoms, substituted or unsubstituted alkyl groups, substituted or unsubstituted alkoxy groups, substituted or unsubstituted amino groups, substituted or unsubstituted aryl groups, substituted or unsubstituted heterocyclic groups, substituted or unsubstituted aryloxy groups, substituted or unsubstituted thiol groups, silyl groups, and cyano groups.
• US9019328B2
  申请人：——

  公开号：US9019328B2

  公开（公告）日：2015-04-28