Chem
J-GLOBAL ID：201107062139808383   Nikkaji number：J2.968.728E

N,N′-Dioctyl-1,6-bis[4-(9-anthrylethynyl)phenyl]perylene-3,4:9,10-bisdicarbimide

N,N′-ジオクチル-1,6-ビス[4-(9-アントリルエチニル)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： C84H66N2O4
Molecular formula furigana： C84-H66-N2-O4
Molecular weight： 1167.462
InChI： InChI=1S/C84H66N2O4/c1-3-5-7-9-11-21-47-85-81(87)69-45-43-67-75-68(44-46-70(78(69)75)82(85)88)77-72(56-39-33-54(34-40-56)36-42-66-63-29-19-15-25-59(63)50-60-26-16-20-30-64(60)66)52-74-79-73(83(89)86(84(74)90)48-22-12-10-8-6-4-2)51-71(76(67)80(77)79)55-37-31-53(32-38-55)35-41-65-61-27-17-13-23-57(61)49-58-24-14-18-28-62(58)65/h13-20,23-34,37-40,43-46,49-52H,3-12,21-22,47-48H2,1-2H3
InChI key： UEUIBZJMOZLZRP-UHFFFAOYSA-N
SMILES： CCCCCCCCn1c(=O)c2ccc3c4c(cc5c6c(cc(c7ccc(cc7)C#Cc7c8ccccc8cc8ccccc78)c(c7ccc(c2c37)c1=O)c46)c(=O)n(CCCCCCCC)c5=O)c1ccc(cc1)C#Cc1c2ccccc2cc2ccccc12
Systematic name  (4)：
  • N,N′-ジオクチル-1,6-ビス[4-(9-アントリルエチニル)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-1,6-ビス[4-(9-アントリルエチニル)フェニル]ペリレン-3,4:9,10-ビスジカルボイミド
  • 11,26-ビス({4-[2-(アントラセン-9-イル)エチニル]フェニル})-7,18-ジオクチル-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
  • 11,26-bis({4-[2-(anthracen-9-yl)ethynyl]phenyl})-7,18-dioctyl-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 (2)：
  • N,N′-Dioctyl-1,6-bis[4-(9-anthrylethynyl)phenyl]perylene-3,4:9,10-bis(dicarbimide)
  • N,N′-Dioctyl-1,6-bis[4-(9-anthrylethynyl)phenyl]perylene-3,4:9,10-bisdicarbimide
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