HCID57971908

E-4-[5-[2-(4-tert-Butylbenzyloxy)phenyl]-3-(3,5-difluoro-4-triisopropylsilanyloxybenzyl)pent-4-enyl]benzonitrile

4-[(E)-5-[2-[(4-tert-butylphenyl)methoxy]phenyl]-3-[[3,5-difluoro-4-tri(propan-2-yl)silyloxyphenyl]methyl]pent-4-enyl]benzonitrile

C45H55F2NO2Si708 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)[Si](Oc1c(F)cc(CC(/C=C/c2ccccc2OCc2ccc(C(C)(C)C)cc2)CCc2ccc(C#N)cc2)cc1F)(C(C)C)C(C)C
InChIKey: DLBJABQMBALCDN-BSYVCWPDSA-N
分子式: C45H55F2NO2Si
平均分子量: 708 g/mol
单同位素质量: 707.39701286

COMPUTED

结构计算性质

已同步

极性表面积: 42.3 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 16
重原子: 51
形式电荷: 0
复杂度: 1,060

ALIASES

名称与别名

共 3 条

SCHEMBL2675240DLBJABQMBALCDN-BSYVCWPDSA-NE-4-[5-[2-(4-tert-Butylbenzyloxy)phenyl]-3-(3,5-difluoro-4-triisopropylsilanyloxybenzyl)pent-4-enyl]benzonitrile

REACTIONS

参与反应

2 条

uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08173704B2

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uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08173704B2

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