Chem
J-GLOBAL ID：201007080247385988   Nikkaji number：J2.821.158I

1,4-Bis[4′-(pentyloxy)-4-biphenylyl]-1,3-butadiyne

1,4-ビス[4′-(ペンチルオキシ)-4-ビフェニリル]-1,3-ブタジイン
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： C38H38O2
Molecular formula furigana： C38-H38-O2
Molecular weight： 526.720
InChI： InChI=1S/C38H38O2/c1-3-5-9-29-39-37-25-21-35(22-26-37)33-17-13-31(14-18-33)11-7-8-12-32-15-19-34(20-16-32)36-23-27-38(28-24-36)40-30-10-6-4-2/h13-28H,3-6,9-10,29-30H2,1-2H3
InChI key： MBSKPWDNWAWYRA-UHFFFAOYSA-N
SMILES： CCCCCOc1ccc(cc1)c1ccc(cc1)C#CC#Cc1ccc(cc1)c1ccc(OCCCCC)cc1
Systematic name  (3)：
  • 1,4-ビス[4′-(ペンチルオキシ)-4-ビフェニリル]-1,3-ブタジイン
  • 4-(ペンチルオキシ)-4'-{4-[4'-(ペンチルオキシ)-[1,1'-ビフェニル]-4-イル]ブタ-1,3-ジイン-1-イル}-1,1'-ビフェニル
  • 4-(pentyloxy)-4'-{4-[4'-(pentyloxy)-[1,1'-biphenyl]-4-yl]buta-1,3-diyn-1-yl}-1,1'-biphenyl
Other name (1)：
  • 1,4-Bis[4′-(pentyloxy)-4-biphenylyl]-1,3-butadiyne
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