2-(N-phenylrhodamine B)-6,13-pentacenequinone | 1357766-64-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 并五苯醌
• 英文名称: 2-(N-phenylrhodamine B)-6,13-pentacenequinone
• 英文别名: 2-[4-[3',6'-Bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]phenyl]pentacene-6,13-dione；2-[4-[3',6'-bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]phenyl]pentacene-6,13-dione
• CAS: 1357766-64-3
• 化学式: C₅₆H₄₅N₃O₄
• 分子量: 823.991
• InChiKey: AMVXBRPAQREZKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.1
• 重原子数：
  63
• 可旋转键数：
  8
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  70.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  mercury(II) perchlorate 、 2-(N-phenylrhodamine B)-6,13-pentacenequinone 以 四氢呋喃 、 水 为溶剂， 生成 [2-(N-phenylrhodamine B)-6,13-pentacenequinone]Hg(ClO4)2
  参考文献：
  名称：

  New Fluorogenic Sensors for Hg²⁺ Ions: Through-Bond Energy Transfer from Pentaquinone to Rhodamine

  摘要：

  New pentaquinone derivatives 5 and 8 having rhodamine moieties have been designed and synthesized that undergo through-bond energy transfer (TBET) in the presence of Hg2+ ions among the various cations (Cu2+, Pb2+, Fe2+, Fe3+, Zn2+, Ni2+, Cd2+, Co2+, Ag+, Ba2+, Mg2+, K+, Na+, and Li+) tested in mixed aqueous media.

  DOI：

  10.1021/ic201990q
• 作为产物：
  描述：

  2-bromo-6,13-pentacenequinone 在 bis-triphenylphosphine-palladium(II) chloride 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 为溶剂， 生成 2-(N-phenylrhodamine B)-6,13-pentacenequinone
  参考文献：
  名称：

  New Fluorogenic Sensors for Hg²⁺ Ions: Through-Bond Energy Transfer from Pentaquinone to Rhodamine

  摘要：

  New pentaquinone derivatives 5 and 8 having rhodamine moieties have been designed and synthesized that undergo through-bond energy transfer (TBET) in the presence of Hg2+ ions among the various cations (Cu2+, Pb2+, Fe2+, Fe3+, Zn2+, Ni2+, Cd2+, Co2+, Ag+, Ba2+, Mg2+, K+, Na+, and Li+) tested in mixed aqueous media.

  DOI：

  10.1021/ic201990q

文献信息

• New Fluorogenic Sensors for Hg²⁺ Ions: Through-Bond Energy Transfer from Pentaquinone to Rhodamine
  作者：Vandana Bhalla、Roopa、Manoj Kumar、Parduman Raj Sharma、Tandeep Kaur

  DOI：10.1021/ic201990q

  日期：2012.2.20

  New pentaquinone derivatives 5 and 8 having rhodamine moieties have been designed and synthesized that undergo through-bond energy transfer (TBET) in the presence of Hg2+ ions among the various cations (Cu2+, Pb2+, Fe2+, Fe3+, Zn2+, Ni2+, Cd2+, Co2+, Ag+, Ba2+, Mg2+, K+, Na+, and Li+) tested in mixed aqueous media.