4,4,9,9-四(4-己基苯基)-4,9-二氢-s-苯并二茚并[1,2-B:5,6-b']二噻吩 | 1049034-67-4

4,4,9,9-四(4-己基苯基)-4,9-二氢-s-苯并二茚并[1,2-B:5,6-b']二噻吩
中文名称:4,4,9,9-四(4-己基苯基)-4,9-二氢-s-苯并二茚并[1,2-B:5,6-b']二噻吩
英文名称:9,9,18,18-Tetrakis(4-hexylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene
CAS No.:1049034-67-4
分子式:C64H74S2 分子量:907.4024
名称和标识符
  • InChIKey:CBSVKHCIOFZDGM-UHFFFAOYSA-N
  • Inchi:1S/C64H74S2/c1-5-9-13-17-21-47-25-33-51(34-26-47)63(52-35-27-48(28-36-52)22-18-14-10-6-2)57-41-43-65-61(57)55-46-60-56(45-59(55)63)62-58(42-44-66-62)64(60,53-37-29-49(30-38-53)23-19-15-11-7-3)54-39-31-50(32-40-54)24-20-16-12-8-4/h25-46H,5-24H2,1-4H3
  • SMILES:S1C([H])=C([H])C2=C1C1C([H])=C3C(C4=C(C([H])=C([H])S4)C3(C3C([H])=C([H])C(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=C([H])C=3[H])C3C([H])=C([H])C(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=C([H])C=3[H])=C([H])C=1C2(C1C([H])=C([H])C(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=C([H])C=1[H])C1C([H])=C([H])C(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=C([H])C=1[H]
中文别名
  • 4,4,9,9-四(4-己基苯基)-4,9-二氢-s-苯并二茚并[1,2-B:5,6-b']二噻吩
英文别名
  • 4,4,9,9-Tetrakis(4-hexylphenyl)-4,9-dihydro-s-indaceno[1,2-b:5,6-b']dithiophene
  • s-Indaceno[1,2-b:5,6-b']dithiophene, 4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro-
  • IDT46
  • ,9-Dihydro-4,4,9,9-tetrakis(4-hexylphenyl)-s-indaceno[1,2-b:5,6-b']dithiophene
  • 4,9-Dihydro-4,4,9,9-tetrakis(4-hexylphenyl)-s-indaceno[1,2-b:5,6-b']dithiophene
  • 3,7-Dihydro-3,3,7,7-tetrakis(4-hexylphenyl)-1,2:5,6-di(epithioetheno)-s-indacene
  • CBSVKHCIOFZDGM-UHFFFAOYSA-N
  • 9,9,18,18-Tetrakis(4-hexylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(
计算特性
  • 氢键供体数量:0
  • 氢键受体数量:2
  • 可旋转化学键数量:24
  • 重原子数量:66
  • 复杂度:1200
  • 拓扑分子极性表面积:56.5