3,3'''-双十二烷基-2,2':5',2'':5'',2'''-四噻吩 | 162151-09-9
中文名称:
3,3'''-双十二烷基-2,2':5',2'':5'',2'''-四噻吩
英文名称:
3,3'''-Didodecyl-2,2':5',2'':5'',2'''-quaterthiophene
CAS No.:
162151-09-9
分子式:
C4 0 H5 8 S4
分子量:
667.14852
名称和标识符
MDL
MFCD10567015
InChIKey
DZUNDTRLGXGTGU-UHFFFAOYSA-N
Inchi
InChI=1S/C40H58S4/c1-3-5-7-9-11-13-15-17-19-21-23-33-29-31-41-39(33)37-27-25-35(43-37)36-26-28-38(44-36)40-34(30-32-42-40)24-22-20-18-16-14-12-10-8-6-4-2/h25-32H,3-24H2,1-2H3
SMILES
CCCCCCCCCCCCC1=C(C2=CC=C(C3=CC=C(C4=C(CCCCCCCCCCCC)C=CS4)S3)S2)SC=C1
别名信息
- 中文别名 -
3,3'''-双十二烷基-2,2':5',2'':5'',2'''-四噻吩
5,5′-双(3-十二烷基-2-噻吩基)-2,2′-联噻吩
- 英文别名 -
3,3'''-Didodecyl-2,2':5',2'':5'',2'''-quaterthiophene
2-(3-dodecylthiophen-2-yl)-5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophene
2,2':5',2'':5'',2'''-Quaterthiophene,3,3'''-didodecyl-
5,5Μ-BIS(3-DODECYL-2-THIENYL)-2,2Μ-BITHIOPHENE
3,3'''-bis(dodecyl)-2,2':5',2'':5'',2'''-quarterthiophene
3,3'''-Didodecylquaterthiophen
5,5'-bis(3-dodecyl-2-thienyl)-2,2'-dithiophene
5,5'-bis(3-n-dodecylthiophen-2-yl)-2,2'-bithiophene
3,3μμμ-Didodecyl-2,2μ:5μ,2μμ:5μμ,2μμμ-quaterthiophene
5,5μ-Bis(3-dodecyl-2-thienyl)-2,2μ-bithiophene
2,2':5',2'':5'',2'''-Quaterthiophene, 3,3'''-didodecyl-
NSC-686347
SCHEMBL85824
5,5mu-Bis(3-dodecyl-2-thienyl)-2,2mu-bithiophene
3-DODECYL-5'-{3'-DODECYL-[2,2'-BITHIOPHEN]-5-YL}-2,2'-BITHIOPHENE
3,3'''-Didodecyl-2,2':5',2'':5'',2'''quaterthiophene
3,3'''-didodecyl-2,2':5',2'':5'',2'''-quaterthiophene
MFCD10567015
2-(3-dodecyl-2-thienyl)-5-[5-(3-dodecyl-2-thienyl)-2-thienyl]thiophene
CHEMBL1971589
3,3'''-Didodecyl-2,2':5',2'':5'',2'''-quaterthiophene, 97%
DTXSID20327781
NSC686347
162151-09-9
NCI60_031076
510755-73-4
物化性质
实验特性
LogP
15.86040
PSA
112.96000
熔点
55-59 °C
计算特性
精确分子量
666.34200
氢键供体数量
0
氢键受体数量
0
可旋转化学键数量
25
同位素质量
666.342
重原子数量
44
复杂度
641
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)
18.2
拓扑分子极性表面积
113Ų
生产方法和用途
用途
1、半导电的低聚体(p型),也用作合成聚(3,3′′′-二烷基-四噻吩)聚合物(PQT)的单体。
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