Chem
J-GLOBAL ID：201007035523657088   Nikkaji number：J2.889.758H

9,9′-[[6,13-Dicyano-1,3,8,10-tetraoxo-1,2,3,8,9,10-hexahydroanthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-2,9-diyl]bistetramethylene]bis(9,10-ethano-9,10-dihydroanthracene-11,12-dicarboxylic acid dimethyl) ester

9,9′-[[6,13-ジシアノ-1,3,8,10-テトラオキソ-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-2,9-ジイル]ビステトラメチレン]ビス(9,10-エタノ-9,10-ジヒドロアントラセン-11,12-ジカルボン酸ジメチル)
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： C74H56N4O12
Molecular formula furigana： C74-H56-N4-O12
Molecular weight： 1193.278
InChI： InChI=1S/C74H56N4O12/c1-87-69(83)61-55-39-17-5-9-21-49(39)73(63(61)71(85)89-3,50-22-10-6-18-40(50)55)29-13-15-31-77-65(79)45-27-25-43-54-38(36-76)34-48-58-46(28-26-44(60(54)58)53-37(35-75)33-47(67(77)81)57(45)59(43)53)66(80)78(68(48)82)32-16-14-30-74-51-23-11-7-19-41(51)56(42-20-8-12-24-52(42)74)62(70(84)88-2)64(74)72(86)90-4/h5-12,17-28,33-34,55-56,61-64H,13-16,29-32H2,1-4H3
InChI key： PUGYRWWGNPUDLK-UHFFFAOYSA-N
SMILES： COC(=O)C1C2c3ccccc3C(CCCCn3c(=O)c4ccc5c6c(cc7c8c(ccc(c9c(cc(c4c59)c3=O)C#N)c68)c(=O)n(CCCCC34C(C(C(c5ccccc35)c3ccccc43)C(=O)OC)C(=O)OC)c7=O)C#N)(C1C(=O)OC)c1ccccc21
Systematic name  (3)：
  • 9,9′-[[6,13-ジシアノ-1,3,8,10-テトラオキソ-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-2,9-ジイル]ビステトラメチレン]ビス(9,10-エタノ-9,10-ジヒドロアントラセン-11,12-ジカルボン酸ジメチル)
  • 15,16-ジメチル 1-[4-(18-{4-[15,16-ビス(メトキシカルボニル)テトラシクロ[6.6.2.02,7.09,14]ヘキサデカ-2,4,6,9,11,13-ヘキサエン-1-イル]ブチル}-11,22-ジシアノ-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-7-イル)ブチル]テトラシクロ[6.6.2.02,7.09,14]ヘキサデカ-2,4,6,9,11,13-ヘキサエン-15,16-ジカルボキシラート
  • 15,16-dimethyl 1-[4-(18-{4-[15,16-bis(methoxycarbonyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-yl]butyl}-11,22-dicyano-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-decaen-7-yl)butyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate
Other name (1)：
  • 9,9′-[[6,13-Dicyano-1,3,8,10-tetraoxo-1,2,3,8,9,10-hexahydroanthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-2,9-diyl]bistetramethylene]bis(9,10-ethano-9,10-dihydroanthracene-11,12-dicarboxylic acid dimethyl) ester
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