Chem
J-GLOBAL ID：201907010147233240
Nikkaji number：J3.739.750D
2,5-bis(4-methoxybutyl)-3-(thiophen-2-yl)-6-(5-{2-[7,12,17-tris(2-{5-[2,5-bis(4-methoxybutyl)-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(4-メトキシブチル)-3-(チオフェン-2-イル)-6-(5-{2-[7,12,17-トリス(2-{5-[2,5-ビス(4-メトキシブチル)-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： C124H118N12O16S8
Molecular formula furigana： C124-H118-N12-O16-S8
Molecular weight： 2288.860
InChI：
InChI=1S/C124H118N12O16S8/c1-145-65-17-9-57-129-109(93-29-25-73-153-93)101-105(121(129)141)113(133(117(101)137)61-13-21-69-149-5)97-53-37-77(157-97)33-41-81-85-45-47-87(125-85)82(42-34-78-38-54-98(158-78)114-106-102(118(138)134(114)62-14-22-70-150-6)110(94-30-26-74-154-94)130(122(106)142)58-10-18-66-146-2)89-49-51-91(127-89)84(44-36-80-40-56-100(160-80)116-108-104(120(140)136(116)64-16-24-72-152-8)112(96-32-28-76-156-96)132(124(108)144)60-12-20-68-148-4)92-52-50-90(128-92)83(88-48-46-86(81)126-88)43-35-79-39-55-99(159-79)115-107-103(119(139)135(115)63-15-23-71-151-7)111(95-31-27-75-155-95)131(123(107)143)59-11-19-67-147-3/h25-32,37-40,45-56,73-76,125,128H,9-24,57-72H2,1-8H3/b85-81-,86-81-,87-82-,88-83-,89-82-,90-83-,91-84-,92-84-
InChI key：
WLOYUJIXVQCVPO-RBRXXVNJSA-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)CCCCOC)CCCCOC)/[nH]1)/C#Cc1sc(cc1)c1n(c(=O)c2c1c(=O)n(c2c1cccs1)CCCCOC)CCCCOC)/C#Cc1sc(cc1)c1n(c(=O)c2c1c(=O)n(c2c1cccs1)CCCCOC)CCCCOC)/C#Cc1sc(cc1)c1n(c(=O)c2c1c(=O)n(c2c1cccs1)CCCCOC)CCCCOC
Systematic name (2)：
- 2,5-ビス(4-メトキシブチル)-3-(チオフェン-2-イル)-6-(5-{2-[7,12,17-トリス(2-{5-[2,5-ビス(4-メトキシブチル)-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(4-methoxybutyl)-3-(thiophen-2-yl)-6-(5-{2-[7,12,17-tris(2-{5-[2,5-bis(4-methoxybutyl)-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(4-メトキシブチル)-3-(チオフェン-2-イル)-6-(5-{2-[7,12,17-トリス(2-{5-[2,5-ビス(4-メトキシブチル)-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(4-methoxybutyl)-3-(thiophen-2-yl)-6-(5-{2-[7,12,17-tris(2-{5-[2,5-bis(4-methoxybutyl)-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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