3. 结构
3.1 二维结构
3.2 三维结构
-1
-2
-3
25 26 0 0 0 0 0 0 0999 V2000
-0.0001 0.0858 -1.8598 Si 0 0 0 0 0 0 0 0 0 0 0 0
-1.4636 0.0325 -0.7077 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4645 0.0326 -0.7066 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9981 -1.1947 -0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9987 -1.1944 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0246 1.2199 -0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0235 1.2200 -0.2367 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0936 -1.2344 0.5475 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0943 -1.2342 0.5465 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1200 1.1802 0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1191 1.1805 0.6258 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6545 -0.0470 1.0174 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6545 -0.0467 1.0173 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0004 -1.0872 -2.7722 H 1 0 0 0 0 0 0 0 0 0 0 0
0.0003 1.3371 -2.6616 H 1 0 0 0 0 0 0 0 0 0 0 0
-1.5794 -2.1350 -0.6664 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5804 -2.1347 -0.6682 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 2.1897 -0.5276 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6249 2.1897 -0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5099 -2.1897 0.8535 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5112 -2.1895 0.8518 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5569 2.1046 0.9913 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5554 2.1050 0.9928 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5074 -0.0779 1.6892 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5075 -0.0775 1.6889 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 14 1 0 0 0 0
1 15 1 0 0 0 0
2 4 2 0 0 0 0
2 6 1 0 0 0 0
3 5 2 0 0 0 0
3 7 1 0 0 0 0
4 8 1 0 0 0 0
4 16 1 0 0 0 0
5 9 1 0 0 0 0
5 17 1 0 0 0 0
6 10 2 0 0 0 0
6 18 1 0 0 0 0
7 11 2 0 0 0 0
7 19 1 0 0 0 0
8 12 2 0 0 0 0
8 20 1 0 0 0 0
9 13 2 0 0 0 0
9 21 1 0 0 0 0
10 12 1 0 0 0 0
10 22 1 0 0 0 0
11 13 1 0 0 0 0
11 23 1 0 0 0 0
12 24 1 0 0 0 0
13 25 1 0 0 0 0
M ISO 2 14 2 15 2
4. 国际命名与标识
4.1 IUPAC Name
dideuterio(diphenyl)silane
4.2 InChl
InChI=1S/C12H12Si/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H,13H2/i13D2
4.3 InChlKey
VDCSGNNYCFPWFK-KLTYLHELSA-N
4.4 Canonical SMILES
C1=CC=C(C=C1)[SiH2]C2=CC=CC=C2
4.5 lsomeric SMILES
[2H][Si]([2H])(C1=CC=CC=C1)C2=CC=CC=C2
4.6 SDF文件
5. 波谱数据
5.1 13C核磁共振谱(13C NMR)
5.2 1H核磁共振谱(1H NMR)
5.3 质谱(MS)
5.4 红外光谱(IR)
5.5 紫外/可见光谱(UV/Vis)
6. 相关药材
7. 相关靶点
8. 相关疾病