Chem
J-GLOBAL ID：201907014788580400
Nikkaji number：J3.739.748B
5-[2,5-bis(2-ethylhexyl)-3,6-dioxo-4-(5-{2-[7,12,17-tris(2-{5-[2,5-bis(2-ethylhexyl)-4-(5-formylthiophen-2-yl)-3,6-dioxopyrrolo[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]pyrrol-1-yl]thiophene-2-carbaldehyde
5-[2,5-ビス(2-エチルヘキシル)-3,6-ジオキソ-4-(5-{2-[7,12,17-トリス(2-{5-[2,5-ビス(2-エチルヘキシル)-4-(5-ホルミルチオフェン-2-イル)-3,6-ジオキソピロロ[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-イル]チオフェン-2-カルバルデヒド
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： C152H166N12O12S8
Molecular formula furigana： C152-H166-N12-O12-S8
Molecular weight： 2609.550
InChI：
InChI=1S/C152H166N12O12S8/c1-17-33-41-93(25-9)81-157-137(129-133(149(157)173)141(125-77-57-105(89-165)181-125)161(145(129)169)85-97(29-13)45-37-21-5)121-73-53-101(177-121)49-61-109-113-65-67-115(153-113)110(62-50-102-54-74-122(178-102)138-130-134(150(174)158(138)82-94(26-10)42-34-18-2)142(126-78-58-106(90-166)182-126)162(146(130)170)86-98(30-14)46-38-22-6)117-69-71-119(155-117)112(64-52-104-56-76-124(180-104)140-132-136(152(176)160(140)84-96(28-12)44-36-20-4)144(128-80-60-108(92-168)184-128)164(148(132)172)88-100(32-16)48-40-24-8)120-72-70-118(156-120)111(116-68-66-114(109)154-116)63-51-103-55-75-123(179-103)139-131-135(151(175)159(139)83-95(27-11)43-35-19-3)143(127-79-59-107(91-167)183-127)163(147(131)171)87-99(31-15)47-39-23-7/h53-60,65-80,89-100,153,156H,17-48,81-88H2,1-16H3/b113-109-,114-109-,115-110-,116-111-,117-110-,118-111-,119-112-,120-112-
InChI key：
XNWMXNXGBNSZHF-FUBUALEASA-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(c3c2ccc(s2)C=O)CC(CCCC)CC)CC(CCCC)CC)/[nH]1)/C#Cc1sc(cc1)c1n(c(=O)c2c1c(=O)n(c2c1ccc(s1)C=O)CC(CCCC)CC)CC(CCCC)CC)/C#Cc1sc(cc1)c1n(c(=O)c2c1c(=O)n(c2c1ccc(s1)C=O)CC(CCCC)CC)CC(CCCC)CC)/C#Cc1sc(cc1)c1n(c(=O)c2c1c(=O)n(c2c1ccc(s1)C=O)CC(CCCC)CC)CC(CCCC)CC
Systematic name (2)：
- 5-[2,5-ビス(2-エチルヘキシル)-3,6-ジオキソ-4-(5-{2-[7,12,17-トリス(2-{5-[2,5-ビス(2-エチルヘキシル)-4-(5-ホルミルチオフェン-2-イル)-3,6-ジオキソ-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)-2H,3H,5H,6H-ピロロ[3,4-c]ピロール-1-イル]チオフェン-2-カルバルデヒド
- 5-[2,5-bis(2-ethylhexyl)-3,6-dioxo-4-(5-{2-[7,12,17-tris(2-{5-[2,5-bis(2-ethylhexyl)-4-(5-formylthiophen-2-yl)-3,6-dioxo-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)-2H,3H,5H,6H-pyrrolo[3,4-c]pyrrol-1-yl]thiophene-2-carbaldehyde
- 5-[2,5-ビス(2-エチルヘキシル)-3,6-ジオキソ-4-(5-{2-[7,12,17-トリス(2-{5-[2,5-ビス(2-エチルヘキシル)-4-(5-ホルミルチオフェン-2-イル)-3,6-ジオキソピロロ[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-イル]チオフェン-2-カルバルデヒド
- 5-[2,5-bis(2-ethylhexyl)-3,6-dioxo-4-(5-{2-[7,12,17-tris(2-{5-[2,5-bis(2-ethylhexyl)-4-(5-formylthiophen-2-yl)-3,6-dioxopyrrolo[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]pyrrol-1-yl]thiophene-2-carbaldehyde
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