Chem
J-GLOBAL ID：201007056970082820   Nikkaji number：J2.842.194J

N,N′-Dioctyl-1,7-bis[4-(phenylethynyl)phenyl]perylene-3,4:9,10-bisdicarbimide

N,N′-ジオクチル-1,7-ビス[4-(フェニルエチニル)フェニル]ペリレン-3,4:9,10-ビスジカルボイミド
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： C68H58N2O4
Molecular formula furigana： C68-H58-N2-O4
Molecular weight： 967.222
InChI： InChI=1S/C68H58N2O4/c1-3-5-7-9-11-19-41-69-65(71)53-39-37-51-60-56(50-35-31-48(32-36-50)28-26-46-23-17-14-18-24-46)44-58-62-54(66(72)70(68(58)74)42-20-12-10-8-6-4-2)40-38-52(64(60)62)59-55(43-57(67(69)73)61(53)63(51)59)49-33-29-47(30-34-49)27-25-45-21-15-13-16-22-45/h13-18,21-24,29-40,43-44H,3-12,19-20,41-42H2,1-2H3
InChI key： KWSMDVVKMFZSTM-UHFFFAOYSA-N
SMILES： CCCCCCCCn1c(=O)c2ccc3c4c(cc5c6c(ccc(c7c(cc(c2c37)c1=O)c1ccc(cc1)C#Cc1ccccc1)c46)c(=O)n(CCCCCCCC)c5=O)c1ccc(cc1)C#Cc1ccccc1
Systematic name  (5)：
  • 2,9-ジオクチル-5,12-ビス[4-(フェニルエチニル)フェニル]アントラ[2,1,9-def:6,5,10-d′e′f′]ジイソキノリン-1,3,8,10(2H,9H)-テトラオン
  • N,N′-ジオクチル-1,7-ビス[4-(フェニルエチニル)フェニル]ペリレン-3,4:9,10-ビス(ジカルボイミド)
  • N,N′-ジオクチル-1,7-ビス[4-(フェニルエチニル)フェニル]ペリレン-3,4:9,10-ビスジカルボイミド
  • 7,18-ジオクチル-11,22-ビス[4-(2-フェニルエチニル)フェニル]-7,18-ジアザヘプタシクロ[14.6.2.22,5.03,12.04,9.013,23.020,24]ヘキサコサ-1(22),2(26),3,5(25),9,11,13,15,20,23-デカエン-6,8,17,19-テトラオン
  • 7,18-dioctyl-11,22-bis[4-(2-phenylethynyl)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
Other name (3)：
  • 2,9-Dioctyl-5,12-bis[4-(phenylethynyl)phenyl]anthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-1,3,8,10(2H,9H)-tetraone
  • N,N′-Dioctyl-1,7-bis[4-(phenylethynyl)phenyl]perylene-3,4:9,10-bis(dicarbimide)
  • N,N′-Dioctyl-1,7-bis[4-(phenylethynyl)phenyl]perylene-3,4:9,10-bisdicarbimide
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