2202-50-8 (2,2,4,4,6,6-hexanaphthalen-2-yloxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene,2,2,4,4,6,6-hexanaphthalen-2-yloxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene)

CAS号:
2202-50-8
中文名称:
2,2,4,4,6,6-hexanaphthalen-2-yloxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
英文名称:
2,2,4,4,6,6-hexanaphthalen-2-yloxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
分子式:
C60H42N3O6P3
分子量:
993.9132771492

2,2,4,4,6,6-hexanaphthalen-2-yloxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene(2202-50-8)名称与标识符

名称

中文别名:
2,2,4,4,6,6-hexanaphthalen-2-yloxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;
英文别名:
2,2,4,4,6,6-hexanaphthalen-2-yloxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene;Hexa-<naphthyl-2-oxy>-cyclo-triphosphazatrien;hexakis(2-naphthyloxy)cyclotriphosphazene;Hexa-(naphthyl-2-oxy)-cyclo-triphosphazatrien;NSC68660;Hexa-< naphthyl-2-oxy> -cyclo-triphosphazatrien; hexakis(2-naphthyloxy)cyclotriphosphazene; Hexa-(naphthyl-2-oxy)-cyclo-triphosphazatrien; NSC68660;;DTXSID40583160;2202-50-8;Hexakis(naphthalen-2-yloxy)cyclotriphosphazene;NSC-68660;

标识符

InChIKey:
JBJQUVQJSOFIOX-UHFFFAOYSA-N
Inchi:
1S/C60H42N3O6P3/c1-7-19-49-37-55(31-25-43(49)13-1)64-70(65-56-32-26-44-14-2-8-20-50(44)38-56)61-71(66-57-33-27-45-15-3-9-21-51(45)39-57,67-58-34-28-46-16-4-10-22-52(46)40-58)63-72(62-70,68-59-35-29-47-17-5-11-23-53(47)41-59)69-60-36-30-48-18-6-12-24-54(48)42-60/h1-42H
SMILES:
P1(N=P(N=P(N=1)(OC1C=CC2C=CC=CC=2C=1)OC1C=CC2C=CC=CC=2C=1)(OC1C=CC2C=CC=CC=2C=1)OC1C=CC2C=CC=CC=2C=1)(OC1C=CC2C=CC=CC=2C=1)OC1C=CC2C=CC=CC=2C=1

2,2,4,4,6,6-hexanaphthalen-2-yloxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene(2202-50-8)物化性质

计算特性

  • 精确分子量 : 993.22864706g/mol
  • 氢键供体数量 : 0
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 12
  • 同位素质量 : 993.22864706g/mol
  • 重原子数量 : 72
  • 复杂度 : 1620
  • 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) : 19.2
  • 拓扑分子极性表面积 : 92.5Ų