Chem
J-GLOBAL ID：201007032358409377   Nikkaji number：J2.889.756A

6,13-Dicyano-2,9-bis[4-(9-anthryl)butyl]-1,2,3,8,9,10-hexahydroanthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-1,3,8,10-tetraone

6,13-ジシアノ-2,9-ビス[4-(9-アントリル)ブチル]-1,2,3,8,9,10-ヘキサヒドロアントラ[2,1,9-def:6,5,10-d′e′f′]ジイソキノリン-1,3,8,10-テトラオン
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： C62H40N4O4
Molecular formula furigana： C62-H40-N4-O4
Molecular weight： 905.026
InChI： InChI=1S/C62H40N4O4/c63-33-39-31-51-55-49(59(67)65(61(51)69)27-11-9-21-45-41-17-5-1-13-35(41)29-36-14-2-6-18-42(36)45)25-23-47-54-40(34-64)32-52-56-50(26-24-48(58(54)56)53(39)57(47)55)60(68)66(62(52)70)28-12-10-22-46-43-19-7-3-15-37(43)30-38-16-4-8-20-44(38)46/h1-8,13-20,23-26,29-32H,9-12,21-22,27-28H2
InChI key： JVDZKAGJBMPOSD-UHFFFAOYSA-N
SMILES： O=c1n(CCCCc2c3ccccc3cc3ccccc23)c(=O)c2cc(C#N)c3c4ccc5c6c(cc(C#N)c(c7ccc1c2c37)c46)c(=O)n(CCCCc1c2ccccc2cc2ccccc12)c5=O
Systematic name  (3)：
  • 6,13-ジシアノ-2,9-ビス[4-(9-アントリル)ブチル]-1,2,3,8,9,10-ヘキサヒドロアントラ[2,1,9-def:6,5,10-d′e′f′]ジイソキノリン-1,3,8,10-テトラオン
  • 7,18-ビス[4-(アントラセン-9-イル)ブチル]-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[4-(anthracen-9-yl)butyl]-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)：
  • 6,13-Dicyano-2,9-bis[4-(9-anthryl)butyl]-1,2,3,8,9,10-hexahydroanthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-1,3,8,10-tetraone
Thsaurus map：
Thesaurus Map

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