Chem
J-GLOBAL ID:200907016516463922   Nikkaji number:J2.357.298B

1,4-Bis[4-[4-[bis(4-methoxyphenyl)amino]phenylethynyl]phenyl]-1,3-butadiyne

1,4-ビス[4-[4-[ビス(4-メトキシフェニル)アミノ]フェニルエチニル]フェニル]-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: C60H44N2O4
Molecular formula furigana: C60-H44-N2-O4
Molecular weight: 857.022
InChI: InChI=1S/C60H44N2O4/c1-63-57-37-29-53(30-38-57)61(54-31-39-58(64-2)40-32-54)51-25-21-49(22-26-51)19-17-47-13-9-45(10-14-47)7-5-6-8-46-11-15-48(16-12-46)18-20-50-23-27-52(28-24-50)62(55-33-41-59(65-3)42-34-55)56-35-43-60(66-4)44-36-56/h9-16,21-44H,1-4H3
InChI key: HKPGXQMNETUCKQ-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)N(c1ccc(OC)cc1)c1ccc(cc1)C#Cc1ccc(cc1)C#CC#Cc1ccc(cc1)C#Cc1ccc(cc1)N(c1ccc(OC)cc1)c1ccc(OC)cc1
Systematic name  (4):
  • 1,4-ビス[4-[4-[ビス(4-メトキシフェニル)アミノ]フェニルエチニル]フェニル]-1,3-ブタジイン
  • 1,1′-(1,3-ブタンジイン-1,4-ジイル)ビス[4-[4-[ビス(4-メトキシフェニル)アミノ]フェニルエチニル]ベンゼン]
  • N-{4-[2-(4-{4-[4-(2-{4-[ビス(4-メトキシフェニル)アミノ]フェニル}エチニル)フェニル]ブタ-1,3-ジイン-1-イル}フェニル)エチニル]フェニル}-4-メトキシ-N-(4-メトキシフェニル)アニリン
  • N-{4-[2-(4-{4-[4-(2-{4-[bis(4-methoxyphenyl)amino]phenyl}ethynyl)phenyl]buta-1,3-diyn-1-yl}phenyl)ethynyl]phenyl}-4-methoxy-N-(4-methoxyphenyl)aniline
Other name (2):
  • 1,4-Bis[4-[4-[bis(4-methoxyphenyl)amino]phenylethynyl]phenyl]-1,3-butadiyne
  • 1,1′-(1,3-Butanediyne-1,4-diyl)bis[4-[4-[bis(4-methoxyphenyl)amino]phenylethynyl]benzene]
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