Chem
J-GLOBAL ID：200907076467140481   Nikkaji number：J1.349.417G

N,N′-Bis[2-[3-[6-(dimethylamino)-1,3-dioxo-1,3-dihydro-2H-benzo[de]isoquinoline-2-yl]propionylamino]phenyl]perylene-3,4:9,10-bis(dicarbimide)

N,N′-ビス[2-[3-[6-(ジメチルアミノ)-1,3-ジオキソ-1,3-ジヒドロ-2H-ベンゾ[de]イソキノリン-2-イル]プロピオニルアミノ]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： C70H48N8O10
Molecular formula furigana： C70-H48-N8-O10
Molecular weight： 1161.200
InChI： InChI=1S/C70H48N8O10/c1-73(2)51-29-27-43-57-39(51)11-9-13-41(57)63(81)75(65(43)83)33-31-55(79)71-49-15-5-7-17-53(49)77-67(85)45-23-19-35-37-21-25-47-62-48(26-22-38(60(37)62)36-20-24-46(68(77)86)61(45)59(35)36)70(88)78(69(47)87)54-18-8-6-16-50(54)72-56(80)32-34-76-64(82)42-14-10-12-40-52(74(3)4)30-28-44(58(40)42)66(76)84/h5-30H,31-34H2,1-4H3,(H,71,79)(H,72,80)
InChI key： NQRJWWFCOMZTRK-UHFFFAOYSA-N
SMILES： CN(C)c1ccc2c(=O)n(CCC(=O)Nc3ccccc3n3c(=O)c4ccc5c6ccc7c8c(ccc(c9ccc(c4c59)c3=O)c68)c(=O)n(c3ccccc3NC(=O)CCn3c(=O)c4cccc5c(ccc(c3=O)c45)N(C)C)c7=O)c(=O)c3cccc1c23
Systematic name  (4)：
  • N,N′-ビス[2-[3-[6-(ジメチルアミノ)-1,3-ジオキソ-1,3-ジヒドロ-2H-ベンゾ[de]イソキノリン-2-イル]プロピオニルアミノ]フェニル]ペリレン-3,4:9,10-ビス(ジカルボイミド)
  • 2,9-ビス[2-[[1-オキソ-3-[6-(ジメチルアミノ)2,3-ジヒドロ-1,3-ジオキソ-1H-ベンゾ[de]イソキノリン-2-イル]プロピル]アミノ]フェニル]-2H,9H-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
  • 3-[10-(ジメチルアミノ)-2,4-ジオキソ-3-アザトリシクロ[7.3.1.05,13]トリデカ-1(13),5,7,9,11-ペンタエン-3-イル]-N-{2-[18-(2-{3-[8-(ジメチルアミノ)-2,4-ジオキソ-3-アザトリシクロ[7.3.1.05,13]トリデカ-1(13),5,7,9,11-ペンタエン-3-イル]プロパンアミド}フェニル)-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-7-イル]フェニル}プロパンアミド
  • 3-[10-(dimethylamino)-2,4-dioxo-3-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-3-yl]-N-{2-[18-(2-{3-[8-(dimethylamino)-2,4-dioxo-3-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-3-yl]propanamido}phenyl)-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]phenyl}propanamide
Other name (2)：
  • N,N′-Bis[2-[3-[6-(dimethylamino)-1,3-dioxo-1,3-dihydro-2H-benzo[de]isoquinoline-2-yl]propionylamino]phenyl]perylene-3,4:9,10-bis(dicarbimide)
  • 2,9-Bis[2-[[1-oxo-3-[6-(dimethylamino)2,3-dihydro-1,3-dioxo-1H-benzo[de]isoquinoline-2-yl]propyl]amino]phenyl]-2H,9H-anthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-1,3,8,10-tetrone
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