Chem
J-GLOBAL ID：201807017986935240   Nikkaji number：J3.722.664E

2,8-[(Dibenzothiophene-2,8-diyl)bis[ethynylene[4,6-bis[(2-ethylhexyl)oxy]-m-phenylene]ethynylene]]dibenzothiophene

2,8-[(ジベンゾチオフェン-2,8-ジイル)ビス[エチニレン[4,6-ビス[(2-エチルヘキシル)オキシ]-m-フェニレン]エチニレン]]ジベンゾチオフェン
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： C76H84O4S2
Molecular formula furigana： C76-H84-O4-S2
Molecular weight： 1125.620
InChI： InChI=1S/C76H84O4S2/c1-9-17-21-53(13-5)49-77-69-47-70(78-50-54(14-6)22-18-10-2)62-34-26-58-30-38-75-67(42-58)68-44-60(32-40-76(68)82-75)28-36-64-46-63(71(79-51-55(15-7)23-19-11-3)48-72(64)80-52-56(16-8)24-20-12-4)35-27-59-31-39-74-66(43-59)65-41-57(25-33-61(69)45-62)29-37-73(65)81-74/h29-32,37-48,53-56H,9-24,49-52H2,1-8H3
InChI key： WPUBXHUFAGYMFI-UHFFFAOYSA-N
SMILES： CCCCC(CC)COc1cc(OCC(CC)CCCC)c2cc1C#Cc1ccc3sc4ccc(cc4c3c1)C#Cc1cc(C#Cc3ccc4sc5ccc(cc5c4c3)C#C2)c(OCC(CC)CCCC)cc1OCC(CC)CCCC
Systematic name  (3)：
  • 2,8-[(ジベンゾチオフェン-2,8-ジイル)ビス[エチニレン[4,6-ビス[(2-エチルヘキシル)オキシ]-m-フェニレン]エチニレン]]ジベンゾチオフェン
  • 10,12,29,31-テトラキス[(2-エチルヘキシル)オキシ]-40,43-ジチアノナシクロ[33.3.1.12,6.13,38.19,13.116,20.119,22.121,25.128,32]ヘキサテトラコンタ-1(38),2,4,6(46),9,11,13(45),16(44),17,19,21,23,25(42),28(41),29,31,35(39),36-オクタデカエン-7,14,26,33-テトライン
  • 10,12,29,31-tetrakis[(2-ethylhexyl)oxy]-40,43-dithianonacyclo[33.3.1.12,6.13,38.19,13.116,20.119,22.121,25.128,32]hexatetraconta-1(38),2,4,6(46),9,11,13(45),16(44),17,19,21,23,25(42),28(41),29,31,35(39),36-octadecaen-7,14,26,33-tetrayne
Other name (1)：
  • 2,8-[(Dibenzothiophene-2,8-diyl)bis[ethynylene[4,6-bis[(2-ethylhexyl)oxy]-m-phenylene]ethynylene]]dibenzothiophene
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