Chem
J-GLOBAL ID：201207096702401855   Nikkaji number：J3.022.575I

N,N′-Bis[8-(9-anthryl)octyl]-1,7-dicyanoperylene-3,4:9,10-bis(dicarbimide)

N,N′-ビス[8-(9-アントリル)オクチル]-1,7-ジシアノペリレン-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： C70H56N4O4
Molecular formula furigana： C70-H56-N4-O4
Molecular weight： 1017.242
InChI： InChI=1S/C70H56N4O4/c71-41-47-39-59-63-57(67(75)73(69(59)77)35-19-7-3-1-5-9-29-53-49-25-15-11-21-43(49)37-44-22-12-16-26-50(44)53)33-31-55-62-48(42-72)40-60-64-58(34-32-56(66(62)64)61(47)65(55)63)68(76)74(70(60)78)36-20-8-4-2-6-10-30-54-51-27-17-13-23-45(51)38-46-24-14-18-28-52(46)54/h11-18,21-28,31-34,37-40H,1-10,19-20,29-30,35-36H2
InChI key： MSHNAOFJTDZJNG-UHFFFAOYSA-N
SMILES： O=c1n(CCCCCCCCc2c3ccccc3cc3ccccc23)c(=O)c2cc(C#N)c3c4ccc5c6c(cc(C#N)c(c7ccc1c2c37)c46)c(=O)n(CCCCCCCCc1c2ccccc2cc2ccccc12)c5=O
Systematic name  (3)：
  • N,N′-ビス[8-(9-アントリル)オクチル]-1,7-ジシアノペリレン-3,4:9,10-ビス(ジカルボイミド)
  • 7,18-ビス[8-(アントラセン-9-イル)オクチル]-6,8,17,19-テトラオキソ-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-11,22-ジカルボニトリル
  • 7,18-bis[8-(anthracen-9-yl)octyl]-6,8,17,19-tetraoxo-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-11,22-dicarbonitrile
Other name (1)：
  • N,N′-Bis[8-(9-anthryl)octyl]-1,7-dicyanoperylene-3,4:9,10-bis(dicarbimide)
Thsaurus map：
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