(2,5-dioxopyrrolidin-1-yl) 6-[(2E)-3,3-dimethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indol-1-yl]hexanoate tetrafluoroborate
(2,5-dioxopyrrolidin-1-yl) 6-[(2E)-3,3-dimethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indol-1-yl]hexanoate tetrafluoroborate · CAS 2632339-91-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2,5-dioxopyrrolidin-1-yl) 6-[(2E)-3,3-dimethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indol-1-yl]hexanoate tetrafluoroborate
- CAS
- 2632339-91-2
- CID
- 91757880
- IUPAC 名称
- (2,5-dioxopyrrolidin-1-yl) 6-[(2E)-3,3-dimethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indol-1-yl]hexanoate tetrafluoroborate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2,5-dioxopyrrolidin-1-yl) 6-[(2E)-3,3-dimethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indol-1-yl]hexanoate tetrafluoroborate
- CAS
- 2632339-91-2
- CID
- 91757880
- IUPAC 名称
- (2,5-dioxopyrrolidin-1-yl) 6-[(2E)-3,3-dimethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indol-1-yl]hexanoate tetrafluoroborate
分子属性
- 分子式
- C34H40BF4N3O4
- 分子量
- 641.5 g/mol
- 精确质量
- 641.3047996 Da
- 单同位素质量
- 641.3047996 Da
- XLogP
- 暂无
- 极性表面积
- 69.9 Ų
- 氢键供体
- 0
- 氢键受体
- 10
- 可旋转键
- 10
- 重原子数
- 46
- 净电荷
- 0
- 结构复杂度
- 1140
结构标识
- InChIKey
- IKCZEWWKZQLLCC-UHFFFAOYSA-N
- SMILES
- [B-](F)(F)(F)F.CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/3\C(C4=CC=CC=C4N3CCCCCC(=O)ON5C(=O)CCC5=O)(C)C)C)C
- InChI
- InChI=1S/C34H40N3O4.BF4/c1-33(2)24-14-8-10-16-26(24)35(5)28(33)18-13-19-29-34(3,4)25-15-9-11-17-27(25)36(29)23-12-6-7-20-32(40)41-37-30(38)21-22-31(37)39;2-1(3,4)5/h8-11,13-19H,6-7,12,20-23H2,1-5H3;/q+1;-1