基本信息
- CAS
72828-90-1- 标准SMILES
CCN(CC)c1ccc(C(=C2C(c3ccccc3)=[N+](C)c3ccccc32)c2ccccc2Cl)cc1.[Cl-]- InChIKey
HIRNHRKPJDWKSO-UHFFFAOYSA-M- 分子式
- C32H30Cl2N2
- 平均分子量
- 513.5 g/mol
- 单同位素质量
- 512.1786044
名称与标识
- 首选名称
- Ethanaminium, N-[4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1)
- IUPAC
- 4-[(2-chlorophenyl)-(1-methyl-2-phenylindol-1-ium-3-ylidene)methyl]-N,N-diethylaniline chloride
名称与别名
72828-90-1Ethanaminium, N-[4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chlorideDTXSID30887801EINECS 276-894-3Ethanaminium, N-(4-((2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, chlorideRefChem:138109DTXCID501027086Ethanaminium, N-(4-((2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, chloride (1:1)Ethanaminium, N-[4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1)N-(4-((2-Chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methyl)-2,5-cyclohexadien-1-ylidene)-N-ethylethanaminium chlorideSCHEMBL4655784HIRNHRKPJDWKSO-UHFFFAOYSA-M
展开更多名称
NS00090564
性质
结构计算性质
- 极性表面积
- 6.3 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 6
- 重原子
- 36
- 形式电荷
- 0
- 复杂度
- 766
相关反应
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化合物笔记
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