Chem
J-GLOBAL ID：201407092261450552   Nikkaji number：J3.231.767G

2,2′-(4-Hexyl-4H-dithieno[3,2-b:2′,3′-d]pyrrole-2,6-diyl)bis[N,N′-bis(2-octyldodecyl)perylene-3,4:9,10-bis(dicarbimide)]

2,2′-(4-ヘキシル-4H-ジチエノ[3,2-b:2′,3′-d]ピロール-2,6-ジイル)ビス[N,N′-ビス(2-オクチルドデシル)ペリレン-3,4:9,10-ビス(ジカルボイミド)]
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： C142H193N5O8S2
Molecular formula furigana： C142-H193-N5-O8-S2
Molecular weight： 2162.250
InChI： InChI=1S/C142H193N5O8S2/c1-10-19-28-37-45-49-57-65-72-99(70-61-53-41-32-23-14-5)95-144-135(148)109-84-78-103-105-80-88-113-129-125(105)115(107-82-86-111(137(144)150)127(109)123(103)107)91-117(131(129)141(154)146(139(113)152)97-101(74-63-55-43-34-25-16-7)76-67-59-51-47-39-30-21-12-3)121-93-119-133(156-121)134-120(143(119)90-69-36-27-18-9)94-122(157-134)118-92-116-108-83-87-112-128-110(136(149)145(138(112)151)96-100(71-62-54-42-33-24-15-6)73-66-58-50-46-38-29-20-11-2)85-79-104(124(108)128)106-81-89-114-130(126(106)116)132(118)142(155)147(140(114)153)98-102(75-64-56-44-35-26-17-8)77-68-60-52-48-40-31-22-13-4/h78-89,91-94,99-102H,10-77,90,95-98H2,1-9H3
InChI key： AOZMSTLNMCFOOP-UHFFFAOYSA-N
SMILES： CCCCCCCCCCC(CCCCCCCC)Cn1c(=O)c2ccc3c4ccc5c6c(c(cc(c7ccc(c2c37)c1=O)c46)c1cc2n(CCCCCC)c3cc(sc3c2s1)c1cc2c3ccc4c6c(ccc(c7ccc8c(c1c(=O)n(CC(CCCCCCCC)CCCCCCCCCC)c8=O)c27)c36)c(=O)n(CC(CCCCCCCC)CCCCCCCCCC)c4=O)c(=O)n(CC(CCCCCCCC)CCCCCCCCCC)c5=O
Systematic name  (3)：
  • 2,2′-(4-ヘキシル-4H-ジチエノ[3,2-b:2′,3′-d]ピロール-2,6-ジイル)ビス[N,N′-ビス(2-オクチルドデシル)ペリレン-3,4:9,10-ビス(ジカルボイミド)]
  • 10-{10-[7,18-ビス(2-オクチルドデシル)-6,8,17,19-テトラオキソ-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-10-イル]-7-ヘキシル-3,11-ジチア-7-アザトリシクロ[6.3.0.02,6]ウンデカ-1(8),2(6),4,9-テトラエン-4-イル}-7,18-ビス(2-オクチルドデシル)-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
  • 10-{10-[7,18-bis(2-octyldodecyl)-6,8,17,19-tetraoxo-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-decaen-10-yl]-7-hexyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl}-7,18-bis(2-octyldodecyl)-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′-(4-Hexyl-4H-dithieno[3,2-b:2′,3′-d]pyrrole-2,6-diyl)bis[N,N′-bis(2-octyldodecyl)perylene-3,4:9,10-bis(dicarbimide)]
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