Chem
J-GLOBAL ID：201207029098722100   Nikkaji number：J3.004.915B

9,9′-(1,3-Butadiyne-1,4-diyl)-10,10′-(1,3-butadiyne-1,4-diyl)bis[2,3,6,7-tetrakis(decyloxy)phenanthrene]

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-テトラキス(デシルオキシ)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： C116H176O8
Molecular formula furigana： C116-H176-O8
Molecular weight： 1698.676
InChI： InChI=1S/C116H176O8/c1-9-17-25-33-41-49-57-69-81-117-109-89-101-97-77-65-66-79-99-100(80-68-67-78-98(97)102-90-110(118-82-70-58-50-42-34-26-18-10-2)114(122-86-74-62-54-46-38-30-22-14-6)94-106(102)105(101)93-113(109)121-85-73-61-53-45-37-29-21-13-5)104-92-112(120-84-72-60-52-44-36-28-20-12-4)116(124-88-76-64-56-48-40-32-24-16-8)96-108(104)107-95-115(123-87-75-63-55-47-39-31-23-15-7)111(91-103(99)107)119-83-71-59-51-43-35-27-19-11-3/h89-96H,9-64,69-76,81-88H2,1-8H3
InChI key： FAXRNGWMNBEELZ-UHFFFAOYSA-N
SMILES： CCCCCCCCCCOc1cc2c3C#CC#Cc4c(C#CC#Cc3c3cc(OCCCCCCCCCC)c(OCCCCCCCCCC)cc3c2cc1OCCCCCCCCCC)c1cc(OCCCCCCCCCC)c(OCCCCCCCCCC)cc1c1cc(OCCCCCCCCCC)c(OCCCCCCCCCC)cc41
Systematic name  (8)：
  • 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-テトラキス(デシルオキシ)フェナントレン]
  • 1,2-[4,4′,5,5′-テトラキス(デシルオキシ)ビフェニル-2,2′-ジイル]-7,8-[4,4′,5,5′-テトラキス(デシルオキシ)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-テトラキス(デシルオキシ)フェナントレン]]
  • 9,10-[(1,3-ブタジイン-1,4-ジイル)[2,3,6,7-テトラキス(デシルオキシ)フェナントレン-9,10-ジイル](1,3-ブタジイン-1,4-ジイル)]-2,3,6,7-テトラキス(デシルオキシ)フェナントレン
  • 1,2-[4,4′,5,5′-テトラキス(デシルオキシ)-1,1′-ビフェニル-2,2′-ジイル]-7,8-[4,4′,5,5′-テトラ(デシルオキシ)-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
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Other name (6)：
  • 9,9′-(1,3-Butadiyne-1,4-diyl)-10,10′-(1,3-butadiyne-1,4-diyl)bis[2,3,6,7-tetrakis(decyloxy)phenanthrene]
  • 1,2-[4,4′,5,5′-Tetrakis(decyloxy)biphenyl-2,2′-diyl]-7,8-[4,4′,5,5′-tetrakis(decyloxy)biphenyl-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-tetrakis(decyloxy)phenanthrene]]
  • 9,10-[(1,3-Butadiyne-1,4-diyl)[2,3,6,7-tetrakis(decyloxy)phenanthrene-9,10-diyl](1,3-butadiyne-1,4-diyl)]-2,3,6,7-tetrakis(decyloxy)phenanthrene
  • 1,2-[4,4′,5,5′-Tetrakis(decyloxy)-1,1′-biphenyl-2,2′-diyl]-7,8-[4,4′,5,5′-tetra(decyloxy)-1,1′-biphenyl-2,2′-diyl]cyclododeca-1,7-diene-3,5,9,11-tetrayne
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