Chem
J-GLOBAL ID：202007012507516854   Nikkaji number：J3.746.548H

3-(5-{2-[12-(2-{5-[2,5-bis(2-ethylhexyl)-3,6-dioxo-4-(thiophen-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl}ethynyl)-17-{2-[4-(dimethylamino)phenyl]ethynyl}-7-{2-[4-(trifluoromethyl)phenyl]ethynyl}-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]ethynyl}thiophen-2-yl)-2,5-bis(2-ethylhexyl)-6-(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4-dione

3-(5-{2-[12-(2-{5-[2,5-ビス(2-エチルヘキシル)-3,6-ジオキソ-4-(チオフェン-2-イル)ピロロ[3,4-c]ピロール-1-イル]チオフェン-2-イル}エチニル)-17-{2-[4-(ジメチルアミノ)フェニル]エチニル}-7-{2-[4-(トリフルオロメチル)フェニル]エチニル}-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル]エチニル}チオフェン-2-イル)-2,5-ビス(2-エチルヘキシル)-6-(チオフェン-2-イル)ピロロ[3,4-c]ピロール-1,4-ジオン
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： C103H102F3N9O4S4
Molecular formula furigana： C103-H102-F3-N9-O4-S4
Molecular weight： 1715.240
InChI： InChI=1S/C103H102F3N9O4S4/c1-11-19-25-65(15-5)61-112-95(87-29-23-59-120-87)91-93(101(112)118)97(114(99(91)116)63-67(17-7)27-21-13-3)89-57-43-73(122-89)41-47-77-83-53-49-79(107-83)75(45-35-69-31-37-71(38-32-69)103(104,105)106)80-50-54-84(108-80)78(86-56-52-82(110-86)76(81-51-55-85(77)109-81)46-36-70-33-39-72(40-34-70)111(9)10)48-42-74-44-58-90(123-74)98-94-92(100(117)115(98)64-68(18-8)28-22-14-4)96(88-30-24-60-121-88)113(102(94)119)62-66(16-6)26-20-12-2/h23-24,29-34,37-40,43-44,49-60,65-68,107,110H,11-22,25-28,61-64H2,1-10H3/b79-75-,80-75-,81-76-,82-76-,83-77-,84-78-,85-77-,86-78-
InChI key： HWZVRZMIVMTXRX-KIYBQRDLSA-N
SMILES： c1c/c/2=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC(=N5)/C(=c/1\[nH]2)/C#Cc1ccc(cc1)N(C)C)/C#Cc1sc(cc1)c1n(c(=O)c2c(n(c(=O)c12)CC(CCCC)CC)c1sccc1)CC(CCCC)CC)[nH]4)/C#Cc1ccc(cc1)C(F)(F)F)/C=C3)\C#Cc1sc(cc1)c1n(c(=O)c2c(n(c(=O)c12)CC(CCCC)CC)c1sccc1)CC(CCCC)CC
Systematic name  (3)：
  • 5-[[4-(トリフルオロメチル)フェニル]エチニル]-15-[[4-(ジメチルアミノ)フェニル]エチニル]-10,20-ビス[[5-[2,5-ビス(2-エチルヘキシル)-3,6-ジオキソ-4-(2-チエニル)-2,3,5,6-テトラヒドロピロロ[3,4-c]ピロール-1-イル]-2-チエニル]エチニル]-21H,23H-ポルフィリン
  • 3-(5-{2-[12-(2-{5-[2,5-ビス(2-エチルヘキシル)-3,6-ジオキソ-4-(チオフェン-2-イル)-2H,3H,5H,6H-ピロロ[3,4-c]ピロール-1-イル]チオフェン-2-イル}エチニル)-17-{2-[4-(ジメチルアミノ)フェニル]エチニル}-7-{2-[4-(トリフルオロメチル)フェニル]エチニル}-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル]エチニル}チオフェン-2-イル)-2,5-ビス(2-エチルヘキシル)-6-(チオフェン-2-イル)-1H,2H,4H,5H-ピロロ[3,4-c]ピロール-1,4-ジオン
  • 3-(5-{2-[12-(2-{5-[2,5-bis(2-ethylhexyl)-3,6-dioxo-4-(thiophen-2-yl)-2H,3H,5H,6H-pyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl}ethynyl)-17-{2-[4-(dimethylamino)phenyl]ethynyl}-7-{2-[4-(trifluoromethyl)phenyl]ethynyl}-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]ethynyl}thiophen-2-yl)-2,5-bis(2-ethylhexyl)-6-(thiophen-2-yl)-1H,2H,4H,5H-pyrrolo[3,4-c]pyrrole-1,4-dione
Other name (2)：
  • 3-(5-{2-[12-(2-{5-[2,5-ビス(2-エチルヘキシル)-3,6-ジオキソ-4-(チオフェン-2-イル)ピロロ[3,4-c]ピロール-1-イル]チオフェン-2-イル}エチニル)-17-{2-[4-(ジメチルアミノ)フェニル]エチニル}-7-{2-[4-(トリフルオロメチル)フェニル]エチニル}-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル]エチニル}チオフェン-2-イル)-2,5-ビス(2-エチルヘキシル)-6-(チオフェン-2-イル)ピロロ[3,4-c]ピロール-1,4-ジオン
  • 3-(5-{2-[12-(2-{5-[2,5-bis(2-ethylhexyl)-3,6-dioxo-4-(thiophen-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl}ethynyl)-17-{2-[4-(dimethylamino)phenyl]ethynyl}-7-{2-[4-(trifluoromethyl)phenyl]ethynyl}-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]ethynyl}thiophen-2-yl)-2,5-bis(2-ethylhexyl)-6-(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4-dione
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