Chem
J-GLOBAL ID:201207064966254029   Nikkaji number:J3.022.576G

N,N′-Bis[8-(9-anthryl)octyl]-1,7-dibromoperylene-3,4:9,10-bis(dicarbimide)

N,N′-ビス[8-(9-アントリル)オクチル]-1,7-ジブロモペリレン-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: C68H56Br2N2O4
Molecular formula furigana: C68-H56-BR2-N2-O4
Molecular weight: 1125.014
InChI: InChI=1S/C68H56Br2N2O4/c69-57-39-55-59-53(65(73)71(67(55)75)35-19-7-3-1-5-9-29-49-45-25-15-11-21-41(45)37-42-22-12-16-26-46(42)49)33-31-51-62-58(70)40-56-60-54(34-32-52(64(60)62)61(57)63(51)59)66(74)72(68(56)76)36-20-8-4-2-6-10-30-50-47-27-17-13-23-43(47)38-44-24-14-18-28-48(44)50/h11-18,21-28,31-34,37-40H,1-10,19-20,29-30,35-36H2
InChI key: DVMSUWSQZCTATK-UHFFFAOYSA-N
SMILES: Brc1cc2c3c(ccc4c5c(Br)cc6c7c(ccc(c1c34)c57)c(=O)n(CCCCCCCCc1c3ccccc3cc3ccccc13)c6=O)c(=O)n(CCCCCCCCc1c3ccccc3cc3ccccc13)c2=O
Systematic name  (3):
  • N,N′-ビス[8-(9-アントリル)オクチル]-1,7-ジブロモペリレン-3,4:9,10-ビス(ジカルボイミド)
  • 7,18-ビス[8-(アントラセン-9-イル)オクチル]-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[8-(anthracen-9-yl)octyl]-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):
  • N,N′-Bis[8-(9-anthryl)octyl]-1,7-dibromoperylene-3,4:9,10-bis(dicarbimide)
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