Chem
J-GLOBAL ID：201507019324102850   Nikkaji number：J3.447.737J

2-[2,5-Bis(2-thienyl)-1H-pyrrole-1-yl]-9-(2-ethylhexyl)anthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-1,3,8,10(2H,9H)-tetraone

2-[2,5-ビス(2-チエニル)-1H-ピロール-1-イル]-9-(2-エチルヘキシル)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(2H,9H)-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： C44H33N3O4S2
Molecular formula furigana： C44-H33-N3-O4-S2
Molecular weight： 731.890
InChI： InChI=1S/C44H33N3O4S2/c1-3-5-8-24(4-2)23-45-41(48)29-15-11-25-27-13-17-31-40-32(18-14-28(38(27)40)26-12-16-30(42(45)49)39(29)37(25)26)44(51)47(43(31)50)46-33(35-9-6-21-52-35)19-20-34(46)36-10-7-22-53-36/h6-7,9-22,24H,3-5,8,23H2,1-2H3
InChI key： MQUHJJGDIMUOGK-UHFFFAOYSA-N
SMILES： CCCCC(CC)Cn1c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c1=O)c46)c(=O)n(n1c(ccc1c1cccs1)c1cccs1)c5=O
Systematic name  (3)：
  • 2-[2,5-ビス(2-チエニル)-1H-ピロール-1-イル]-9-(2-エチルヘキシル)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(2H,9H)-テトラオン
  • 7-[2,5-ビス(チオフェン-2-イル)-1H-ピロール-1-イル]-18-(2-エチルヘキシル)-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-[2,5-bis(thiophen-2-yl)-1H-pyrrol-1-yl]-18-(2-ethylhexyl)-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)：
  • 2-[2,5-Bis(2-thienyl)-1H-pyrrole-1-yl]-9-(2-ethylhexyl)anthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-1,3,8,10(2H,9H)-tetraone
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