Chem
J-GLOBAL ID：201007055489081148   Nikkaji number：J2.889.759F

6,13-Dicyano-2,9-bis[3-(9-anthryl)propyl]-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[3-(9-アントリル)プロピル]-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： C60H36N4O4
Molecular formula furigana： C60-H36-N4-O4
Molecular weight： 876.972
InChI： InChI=1S/C60H36N4O4/c61-31-37-29-49-53-47(57(65)63(59(49)67)25-9-19-43-39-15-5-1-11-33(39)27-34-12-2-6-16-40(34)43)23-21-45-52-38(32-62)30-50-54-48(24-22-46(56(52)54)51(37)55(45)53)58(66)64(60(50)68)26-10-20-44-41-17-7-3-13-35(41)28-36-14-4-8-18-42(36)44/h1-8,11-18,21-24,27-30H,9-10,19-20,25-26H2
InChI key： MIKVOHKTNGRGOI-UHFFFAOYSA-N
SMILES： O=c1n(CCCc2c3ccccc3cc3ccccc23)c(=O)c2cc(C#N)c3c4ccc5c6c(cc(C#N)c(c7ccc1c2c37)c46)c(=O)n(CCCc1c2ccccc2cc2ccccc12)c5=O
Systematic name  (3)：
  • 6,13-ジシアノ-2,9-ビス[3-(9-アントリル)プロピル]-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[3-(アントラセン-9-イル)プロピル]-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[3-(anthracen-9-yl)propyl]-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[3-(9-anthryl)propyl]-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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