Chem
J-GLOBAL ID：201007050510051147   Nikkaji number：J2.889.753G

6,13-Dibromo-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-ジブロモ-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： C60H40Br2N2O4
Molecular formula furigana： C60-H40-BR2-N2-O4
Molecular weight： 1012.798
InChI： InChI=1S/C60H40Br2N2O4/c61-49-31-47-51-45(57(65)63(59(47)67)27-11-9-21-41-37-17-5-1-13-33(37)29-34-14-2-6-18-38(34)41)25-23-43-54-50(62)32-48-52-46(26-24-44(56(52)54)53(49)55(43)51)58(66)64(60(48)68)28-12-10-22-42-39-19-7-3-15-35(39)30-36-16-4-8-20-40(36)42/h1-8,13-20,23-26,29-32H,9-12,21-22,27-28H2
InChI key： KZPXBOJCNFLGTI-UHFFFAOYSA-N
SMILES： Brc1cc2c3c(ccc4c5c(Br)cc6c7c(ccc(c1c34)c57)c(=O)n(CCCCc1c3ccccc3cc3ccccc13)c6=O)c(=O)n(CCCCc1c3ccccc3cc3ccccc13)c2=O
Systematic name  (3)：
  • 6,13-ジブロモ-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]-11,22-ジブロモ-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-6,8,17,19-テトラオン
  • 7,18-bis[4-(anthracen-9-yl)butyl]-11,22-dibromo-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-6,8,17,19-tetrone
Other name (1)：
  • 6,13-Dibromo-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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