Chem
J-GLOBAL ID：201007040584753962   Nikkaji number：J2.827.676A

4,8-Bis[5-(9,9-dioctyl-9H-fluorene-2-yl)-1H-pyrrole-2-yl]-1H,5H-benzo[1,2-c:4,5-c′]bis[1,2,5]thiadiazole

4,8-ビス[5-(9,9-ジオクチル-9H-フルオレン-2-イル)-1H-ピロール-2-イル]-1H,5H-ベンゾ[1,2-c:4,5-c′]ビス[1,2,5]チアジアゾール
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C72H90N6S2
Molecular formula furigana： C72-H90-N6-S2
Molecular weight： 1103.670
InChI： InChI=1S/C72H90N6S2/c1-5-9-13-17-21-29-45-71(46-30-22-18-14-10-6-2)57-35-27-25-33-53(57)55-39-37-51(49-59(55)71)61-41-43-63(73-61)65-67-69(77-79-75-67)66(70-68(65)76-80-78-70)64-44-42-62(74-64)52-38-40-56-54-34-26-28-36-58(54)72(60(56)50-52,47-31-23-19-15-11-7-3)48-32-24-20-16-12-8-4/h25-28,33-44,49-50,73-75,78H,5-24,29-32,45-48H2,1-4H3
InChI key： PUUIHTLXRYRXPN-UHFFFAOYSA-N
SMILES： CCCCCCCCC1(CCCCCCCC)c2ccccc2c2ccc(cc12)c1ccc([nH]1)c1c2[nH]snc2c(c2ccc([nH]2)c2ccc3c4ccccc4C(CCCCCCCC)(CCCCCCCC)c3c2)c2[nH]snc12
Systematic name  (3)：
  • 4,8-ビス[5-(9,9-ジオクチル-9H-フルオレン-2-イル)-1H-ピロール-2-イル]-1H,5H-ベンゾ[1,2-c:4,5-c′]ビス[1,2,5]チアジアゾール
  • 2,8-ビス[5-(9,9-ジオクチル-9H-フルオレン-2-イル)-1H-ピロール-2-イル]-5,11-ジチア-4,6,10,12-テトラアザトリシクロ[7.3.0.03,7]ドデカ-1,3,7,9-テトラエン
  • 2,8-bis[5-(9,9-dioctyl-9H-fluoren-2-yl)-1H-pyrrol-2-yl]-5,11-dithia-4,6,10,12-tetraazatricyclo[7.3.0.03,7]dodeca-1,3,7,9-tetraene
Other name (1)：
  • 4,8-Bis[5-(9,9-dioctyl-9H-fluorene-2-yl)-1H-pyrrole-2-yl]-1H,5H-benzo[1,2-c:4,5-c′]bis[1,2,5]thiadiazole
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