uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846955B2
查看![2-[4-[2-[4-[2-(4-dibutylamino-2-methoxyphenyl)vinyl]-2,5-dimethylphenyl]vinyl]-3-cyano-5-phenyl-5-trifluoromethyl-2(5H)-furanylidene]propanedinitrile 分子结构式](/api/mol/86667555/svg/360x280.svg)
HCID86667555
2-[4-[2-[4-[2-(4-dibutylamino-2-methoxyphenyl)vinyl]-2,5-dimethylphenyl]vinyl]-3-cyano-5-phenyl-5-trifluoromethyl-2(5H)-furanylidene]propanedinitrile
2-[3-cyano-4-[2-[4-[2-[4-(dibutylamino)-2-methoxyphenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]-5-phenyl-5-(trifluoromethyl)furan-2-ylidene]propanedinitrile
C42H41F3N4O2690.8 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCCCN(CCCC)c1ccc(C=Cc2cc(C)c(C=CC3=C(C#N)C(=C(C#N)C#N)OC3(c3ccccc3)C(F)(F)F)cc2C)c(OC)c1
- InChIKey
- IFWBUBUTNJNUDW-UHFFFAOYSA-N
- 分子式
- C42H41F3N4O2
- 平均分子量
- 690.8 g/mol
- 单同位素质量
- 690.31816105
COMPUTED
结构计算性质
- XLogP
- 10
- 极性表面积
- 93.1 Ų
- 氢键供体
- 0
- 氢键受体
- 9
- 可旋转键
- 13
- 重原子
- 51
- 形式电荷
- 0
- 复杂度
- 1,440
物化、安全与法规信息正在同步。
ALIASES
名称与别名
2-[4-[2-[4-[2-(4-dibutylamino-2-methoxyphenyl)vinyl]-2,5-dimethylphenyl]vinyl]-3-cyano-5-phenyl-5-trifluoromethyl-2(5H)-furanylidene]propanedinitrileSCHEMBL10010451
REACTIONS
参与反应