1135933-35-5 ((9-butyl-4,10-dimethyl-3-oxa-9-azatetracyclo6.6.1.0^{2,6}.0^{11,15}pentadeca-1,6,8(15),9,11,13-hexaen-9-ium, tetrafluoroboranuide)

CAS号:
1135933-35-5
英文名称:
9-butyl-4,10-dimethyl-3-oxa-9-azatetracyclo6.6.1.0^{2,6}.0^{11,15}pentadeca-1,6,8(15),9,11,13-hexaen-9-ium, tetrafluoroboranuide
分子式:
C19H22BF4NO
分子量:
367.188699245453

9-butyl-4,10-dimethyl-3-oxa-9-azatetracyclo6.6.1.0^{2,6}.0^{11,15}pentadeca-1,6,8(15),9,11,13-hexaen-9-ium, tetrafluoroboranuide(1135933-35-5)名称与标识符

名称

英文别名:
5-butyl-4,8-dimethyl-7,8-dihydrobenzo[cd]furo[2,3-f]indol-5-ium tetrafluoroborate;9-butyl-4,10-dimethyl-3-oxa-9-azatetracyclo6.6.1.0^{2,6}.0^{11,15}pentadeca-1,6,8(15),9,11,13-hexaen-9-ium, tetrafluoroboranuide;

标识符

MDL:
MFCD28388824
InChIKey:
INJRYMKFDPJPOG-UHFFFAOYSA-N
Inchi:
1S/C19H22NO.BF4/c1-4-5-9-20-13(3)15-7-6-8-16-18(15)17(20)11-14-10-12(2)21-19(14)16;2-1(3,4)5/h6-8,11-12H,4-5,9-10H2,1-3H3;/q+1;-1
SMILES:
F[B-](F)(F)F.O1C(C)CC2C=C3C4C(=CC=CC=4C1=2)C(C)=[N+]3CCCC

9-butyl-4,10-dimethyl-3-oxa-9-azatetracyclo6.6.1.0^{2,6}.0^{11,15}pentadeca-1,6,8(15),9,11,13-hexaen-9-ium, tetrafluoroboranuide(1135933-35-5)物化性质

计算特性

  • 氢键供体数量 : 0
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 3
  • 重原子数量 : 26
  • 复杂度 : 462
  • 拓扑分子极性表面积 : 12.2