5368-62-7 (triphenyl-[2-(2-triphenylphosphaniumylethoxy)ethyl]phosphanium,Triphenyl-[2-(2-triphenylphosphaniumylethoxy)ethyl]phosphanium)

CAS号:
5368-62-7
中文名称:
triphenyl-[2-(2-triphenylphosphaniumylethoxy)ethyl]phosphanium
英文名称:
Triphenyl-[2-(2-triphenylphosphaniumylethoxy)ethyl]phosphanium
分子式:
C40H38OP2
分子量:
596.676652431488

triphenyl-[2-(2-triphenylphosphaniumylethoxy)ethyl]phosphanium(5368-62-7)名称与标识符

名称

中文别名:
triphenyl-[2-(2-triphenylphosphaniumylethoxy)ethyl]phosphanium;
英文别名:
Triphenyl-[2-(2-triphenylphosphaniumylethoxy)ethyl]phosphanium;(BrPh3PCH2)2O;Hexa-P-phenyl-P,P'-(3-oxa-pentandiyl)-di-phosphonium, Dibromid;hexa-P-phenyl-P,P'-(2-oxa-propanediyl)-di-phosphonium, dibromide;NSC244454;Bis-<triphenyl-phosphoniomethyl>-ether-dibromid;hexa-P-phenyl-P,P'-(3-oxa-pentanediyl)-di-phosphonium, dibromide;(oxydiethylene)bis<triphenylphosphonium>dibromide;Hexa-P-phenyl-P,P'-(2-oxa-propandiyl)-di-phosphonium, Dibromid;(BrPh3PCH2)2O; Hexa-P-phenyl-P,P'-(3-oxa-pentandiyl)-di-phosphonium, Dibromid; hexa-P-phenyl-P,P'-(2-oxa-propanediyl)-di-phosphonium, dibromide; NSC244454; Bis-< triphenyl-phosphoniomethyl> -ether-dibromid; hexa-P-phenyl-P,P'-(3-oxa-pentanediyl)-di-phosphonium, dibromide; (oxydiethylene)bis< triphenylphosphonium> dibromide; Hexa-P-phenyl-P,P'-(2-oxa-propandiyl)-di-phosphonium, Dibromid;;triphenyl-[2-(2-triphenylphosphaniumylethoxy)ethyl]phosphonium;Triphenyl(2-(2-(triphenylphosphoranyl)ethoxy)ethyl)phosphorane;SCHEMBL838146;NSC84070;5368-62-7;NSC 84070;AKOS002684811;Bis(2-(triphenylphosphoranyl)ethyl) ether;

标识符

InChIKey:
NJBGGFGJVQAWEK-UHFFFAOYSA-N
Inchi:
1S/C40H38OP2/c1-7-19-35(20-8-1)42(36-21-9-2-10-22-36,37-23-11-3-12-24-37)33-31-41-32-34-43(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-30H,31-34H2/q+2
SMILES:
[P+](C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)CCOCC[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1

triphenyl-[2-(2-triphenylphosphaniumylethoxy)ethyl]phosphanium(5368-62-7)物化性质

实验特性

  • LogP : 3.99520
  • PSA : 9.23
  • 沸点 : °Cat760mmHg
  • 闪点 : °C

计算特性

  • 精确分子量 : 596.24004
  • 氢键供体数量 : 0
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 12
  • 同位素质量 : 596.24
  • 重原子数量 : 43
  • 复杂度 : 606
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 8.9
  • 拓扑分子极性表面积 : 9.2Ų