Chem
J-GLOBAL ID：201107085534306567   Nikkaji number：J2.944.839F

9,9′-(1,3-Butadiyne-1,4-diyl)-10,10′-(1,3-butadiyne-1,4-diyl)bis(2,3,6,7-tetrabutoxyphenanthrene)

9,9′-(1,3-ブタジイン-1,4-ジイル)-10,10′-(1,3-ブタジイン-1,4-ジイル)ビス(2,3,6,7-テトラブトキシフェナントレン)
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： C68H80O8
Molecular formula furigana： C68-H80-O8
Molecular weight： 1025.380
InChI： InChI=1S/C68H80O8/c1-9-17-33-69-61-41-53-49-29-25-26-31-51-52(32-28-27-30-50(49)54-42-62(70-34-18-10-2)66(74-38-22-14-6)46-58(54)57(53)45-65(61)73-37-21-13-5)56-44-64(72-36-20-12-4)68(76-40-24-16-8)48-60(56)59-47-67(75-39-23-15-7)63(43-55(51)59)71-35-19-11-3/h41-48H,9-24,33-40H2,1-8H3
InChI key： XOSQQYWXFMYXRU-UHFFFAOYSA-N
SMILES： CCCCOc1cc2c3C#CC#Cc4c(C#CC#Cc3c3cc(OCCCC)c(OCCCC)cc3c2cc1OCCCC)c1cc(OCCCC)c(OCCCC)cc1c1cc(OCCCC)c(OCCCC)cc41
Systematic name  (6)：
  • 1,2-(4,4′,5,5′-テトラブトキシ-1,1′-ビフェニル-2,2′-ジイル)-7,8-(4,4′,5,5′-テトラブトキシ-1,1′-ビフェニル-2,2′-ジイル)シクロドデカ-1,7-ジエン-3,5,9,11-テトライン
  • 9,9′-(1,3-ブタジイン-1,4-ジイル)-10,10′-(1,3-ブタジイン-1,4-ジイル)ビス(2,3,6,7-テトラブトキシフェナントレン)
  • 1,2-(4,4′,5,5′-テトラブトキシビフェニル-2,2′-ジイル)-7,8-(4,4′,5,5′-テトラブトキシビフェニル-2,2′-ジイル)-1,7-シクロドデカジエン-3,5,9,11-テトライン
  • 10,10′-(1,3-ブタジイン-1,4-ジイル)[9,9′-(1,3-ブタジイン-1,4-ジイル)ビス(2,3,6,7-テトラブトキシフェナントレン)]
  • 9,10,15,16,27,28,33,34-オクタブトキシヘプタシクロ[22.12.0.06,19.07,12.013,18.025,30.031,36]ヘキサトリアコンタ-1(24),6(19),7,9,11,13,15,17,25,27,29,31,33,35-テトラデカエン-2,4,20,22-テトライン
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Other name (4)：
  • 1,2-(4,4′,5,5′-Tetrabutoxy-1,1′-biphenyl-2,2′-diyl)-7,8-(4,4′,5,5′-tetrabutoxy-1,1′-biphenyl-2,2′-diyl)cyclododeca-1,7-diene-3,5,9,11-tetrayne
  • 9,9′-(1,3-Butadiyne-1,4-diyl)-10,10′-(1,3-butadiyne-1,4-diyl)bis(2,3,6,7-tetrabutoxyphenanthrene)
  • 1,2-(4,4′,5,5′-Tetrabutoxybiphenyl-2,2′-diyl)-7,8-(4,4′,5,5′-tetrabutoxybiphenyl-2,2′-diyl)-1,7-cyclododecadiene-3,5,9,11-tetrayne
  • 10,10′-(1,3-Butadiyne-1,4-diyl)[9,9′-(1,3-butadiyne-1,4-diyl)bis(2,3,6,7-tetrabutoxyphenanthrene)]
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