3H-Indolium, 2-[2-[3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2-(1-naphthalenyl)-1-cyclopenten-1-yl]ethenyl]-1,3,3-trimethyl-, tetrafluoroborate(1-) (1:1)
3H-Indolium, 2-[2-[3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2-(1-naphthalenyl)-1-cyclopenten-1-yl]ethenyl]-1,3,3-trimethyl-, tetrafluoroborate(1-) (1:1) · CAS 262607-20-5
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 3H-Indolium, 2-[2-[3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2-(1-naphthalenyl)-1-cyclopenten-1-yl]ethenyl]-1,3,3-trimethyl-, tetrafluoroborate(1-) (1:1)
- CAS
- 262607-20-5
- CID
- 15963810
- IUPAC 名称
- (2Z)-1,3,3-trimethyl-2-[(2E)-2-[2-naphthalen-1-yl-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]indole tetrafluoroborate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 3H-Indolium, 2-[2-[3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2-(1-naphthalenyl)-1-cyclopenten-1-yl]ethenyl]-1,3,3-trimethyl-, tetrafluoroborate(1-) (1:1)
- CAS
- 262607-20-5
- CID
- 15963810
- IUPAC 名称
- (2Z)-1,3,3-trimethyl-2-[(2E)-2-[2-naphthalen-1-yl-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]indole tetrafluoroborate
分子属性
- 分子式
- C41H41BF4N2
- 分子量
- 648.6 g/mol
- 精确质量
- 648.3298921 Da
- 单同位素质量
- 648.3298921 Da
- XLogP
- 暂无
- 极性表面积
- 6.3 Ų
- 氢键供体
- 0
- 氢键受体
- 6
- 可旋转键
- 4
- 重原子数
- 48
- 净电荷
- 0
- 结构复杂度
- 1180
结构标识
- InChIKey
- WCOWRBMBEQBWIW-UHFFFAOYSA-N
- SMILES
- [B-](F)(F)(F)F.CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=C(/C(=C/C=C\4/C(C5=CC=CC=C5N4C)(C)C)/CC3)C6=CC=CC7=CC=CC=C76)C)C
- InChI
- InChI=1S/C41H41N2.BF4/c1-40(2)33-18-9-11-20-35(33)42(5)37(40)26-24-29-22-23-30(39(29)32-17-13-15-28-14-7-8-16-31(28)32)25-27-38-41(3,4)34-19-10-12-21-36(34)43(38)6;2-1(3,4)5/h7-21,24-27H,22-23H2,1-6H3;/q+1;-1