20052-66-8 ((4H-Pyran, 2,6-diphenyl-)

快速询单

结构式：

4H-Pyran, 2,6-diphenyl-MOL文件

CAS号：

20052-66-8

英文名称：

4H-Pyran, 2,6-diphenyl-

分子式：

C₁₇H₁₄O

分子量：

234.292464733124

4H-Pyran, 2,6-diphenyl-(20052-66-8)名称与标识符

名称

英文别名：

4H-Pyran, 2,6-diphenyl-;2,6-diphenyl-4H-pyran;DTXSID50575874;SCHEMBL11506718;20052-66-8;

标识符

InChIKey：

MJKUHYNEIBVJGN-UHFFFAOYSA-N

Inchi：

1S/C17H14O/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15/h1-6,8-13H,7H2

SMILES：

O1C(C2C=CC=CC=2)=CCC=C1C1C=CC=CC=1

4H-Pyran, 2,6-diphenyl-(20052-66-8)物化性质

实验特性

PSA : 9.23

计算特性

精确分子量 : 234.10452
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 2
同位素质量 : 234.104465066g/mol
重原子数量 : 18
复杂度 : 296
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 4.5
拓扑分子极性表面积 : 9.2Å²

4H-Pyran, 2,6-diphenyl-(20052-66-8)相关文献

1. The influence of three diphenylpyran isomer co-sensitizers with different sterical structures on N719-based dye sensitized solar cells
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2. Photolysis of 2,6-diphenyl-4H-pyran-4-thione
N. Ishibe,M. Odani,K. Teramura J. Chem. Soc. D 1970 371a
3. Phosphonic anchoring groups in organic dyes for solid-state solar cells
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4. Investigation of second-order nonlinear optical responses in a series of V-shaped binuclear platinum(ii) complexes
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5. Photo-oxygenation of 4H-pyran-4-thiones and 4H-thiopyran-4-thiones: reactivity and kinetic characterization
N. Ishibe,M. Odani,M. Sunami J. Chem. Soc. B 1971 1837
6. Photosensitized oxygenation of 4H-pyran-4-thiones and 4H-thiopyran-4-thiones
N. Ishibe,M. Odani,M. Sunami J. Chem. Soc. D 1971 118
7. Synthesis, photovoltaic performances and TD-DFT modeling of push–pull diacetylide platinum complexes in TiO2 based dye-sensitized solar cells
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8. Competitive anion formation in pulegone [p-menth-4(8)-en-3-one] synthesis of phenylmethylenepyrans
P. Crabbé,E. Díaz,J. Haro,G. Pérez,D. Salgado,E. Santos J. Chem. Soc. Perkin Trans. 1 1972 46
9. Diferrocenylpyrylium salts and electron rich bispyran from oxidative coupling of ferrocenylpyran. Example of redox systems switched by proton transfer
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