Chem
J-GLOBAL ID：201907011341414929
Nikkaji number：J3.739.747D
2,5-bis(2-ethylhexyl)-3-(thiophen-2-yl)-6-(5-{2-[7,12,17-tris(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)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl]ethynyl}thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4-dione
2,5-ビス(2-エチルヘキシル)-3-(チオフェン-2-イル)-6-(5-{2-[7,12,17-トリス(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)-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-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン-2-イル]エチニル}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 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
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
Molecular formula： C148H166N12O8S8
Molecular formula furigana： C148-H166-N12-O8-S8
Molecular weight： 2497.510
InChI：
InChI=1S/C148H166N12O8S8/c1-17-33-45-93(25-9)85-153-133(117-53-41-81-169-117)125-129(145(153)165)137(157(141(125)161)89-97(29-13)49-37-21-5)121-77-61-101(173-121)57-65-105-109-69-71-111(149-109)106(66-58-102-62-78-122(174-102)138-130-126(142(162)158(138)90-98(30-14)50-38-22-6)134(118-54-42-82-170-118)154(146(130)166)86-94(26-10)46-34-18-2)113-73-75-115(151-113)108(68-60-104-64-80-124(176-104)140-132-128(144(164)160(140)92-100(32-16)52-40-24-8)136(120-56-44-84-172-120)156(148(132)168)88-96(28-12)48-36-20-4)116-76-74-114(152-116)107(112-72-70-110(105)150-112)67-59-103-63-79-123(175-103)139-131-127(143(163)159(139)91-99(31-15)51-39-23-7)135(119-55-43-83-171-119)155(147(131)167)87-95(27-11)47-35-19-3/h41-44,53-56,61-64,69-84,93-100,149,152H,17-40,45-52,85-92H2,1-16H3/b109-105-,110-105-,111-106-,112-107-,113-106-,114-107-,115-108-,116-108-
InChI key：
UJCZKIHUURQHFP-OZVBBUKYSA-N
SMILES：
C1=CC2=N/C/1=C(\c1ccc([nH]1)/C(=C\1/C=CC(=N1)/C(=c\1/cc/c(=C/2\C#Cc2sc(cc2)c2n(c(=O)c3c2c(=O)n(c3c2cccs2)CC(CCCC)CC)CC(CCCC)CC)/[nH]1)/C#Cc1sc(cc1)c1n(c(=O)c2c1c(=O)n(c2c1cccs1)CC(CCCC)CC)CC(CCCC)CC)/C#Cc1sc(cc1)c1n(c(=O)c2c1c(=O)n(c2c1cccs1)CC(CCCC)CC)CC(CCCC)CC)/C#Cc1sc(cc1)c1n(c(=O)c2c1c(=O)n(c2c1cccs1)CC(CCCC)CC)CC(CCCC)CC
Systematic name (2)：
- 2,5-ビス(2-エチルヘキシル)-3-(チオフェン-2-イル)-6-(5-{2-[7,12,17-トリス(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)-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-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン-2-イル]エチニル}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
- 2,5-bis(2-ethylhexyl)-3-(thiophen-2-yl)-6-(5-{2-[7,12,17-tris(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)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl]ethynyl}thiophen-2-yl)-1H,2H,4H,5H-pyrrolo[3,4-c]pyrrole-1,4-dione
- 2,5-ビス(2-エチルヘキシル)-3-(チオフェン-2-イル)-6-(5-{2-[7,12,17-トリス(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)-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-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン-2-イル]エチニル}チオフェン-2-イル)ピロロ[3,4-c]ピロール-1,4-ジオン
- 2,5-bis(2-ethylhexyl)-3-(thiophen-2-yl)-6-(5-{2-[7,12,17-tris(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)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl]ethynyl}thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4-dione
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