Chem
J-GLOBAL ID：201107020208237275   Nikkaji number：J2.908.375D

N,N′-Bis(2-ethylhexyl)-1,7-bis(5,5′′′′-dihexyl-2,2′:5′,2′′:4′′,2′′′:5′′′,2′′′′-quinquethiophene-5′′-yl)perylene-3,4:9,10-bis(dicarbimide)

N,N′-ビス(2-エチルヘキシル)-1,7-ビス(5,5′′′′-ジヘキシル-2,2′:5′,2′′:4′′,2′′′:5′′′,2′′′′-キンクエチオフェン-5′′-イル)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： C104H110N2O4S10
Molecular formula furigana： C104-H110-N2-O4-S10
Molecular weight： 1772.630
InChI： InChI=1S/C104H110N2O4S10/c1-9-17-23-27-33-65-37-45-81(111-65)85-51-49-79(115-85)73-59-91(89-55-53-87(117-89)83-47-39-67(113-83)35-29-25-19-11-3)119-99(73)75-57-77-95-71(101(107)105(103(77)109)61-63(15-7)31-21-13-5)44-42-70-94-76(58-78-96-72(43-41-69(98(94)96)93(75)97(70)95)102(108)106(104(78)110)62-64(16-8)32-22-14-6)100-74(80-50-52-86(116-80)82-46-38-66(112-82)34-28-24-18-10-2)60-92(120-100)90-56-54-88(118-90)84-48-40-68(114-84)36-30-26-20-12-4/h37-60,63-64H,9-36,61-62H2,1-8H3
InChI key： JEPWJQHRZXUFRJ-UHFFFAOYSA-N
SMILES： CCCCCCc1ccc(s1)c1ccc(s1)c1cc(c2ccc(s2)c2ccc(CCCCCC)s2)c(s1)c1cc2c3c(ccc4c5c(cc6c7c(ccc(c1c34)c57)c(=O)n(CC(CC)CCCC)c6=O)c1sc(cc1c1ccc(s1)c1ccc(CCCCCC)s1)c1ccc(s1)c1ccc(CCCCCC)s1)c(=O)n(CC(CC)CCCC)c2=O
Systematic name  (3)：
  • N,N′-ビス(2-エチルヘキシル)-1,7-ビス(5,5′′′′-ジヘキシル-2,2′:5′,2′′:4′′,2′′′:5′′′,2′′′′-キンクエチオフェン-5′′-イル)ペリレン-3,4:9,10-ビス(ジカルボイミド)
  • 11-[3,5-ビス({5'-ヘキシル-[2,2'-ビチオフェン]-5-イル})チオフェン-2-イル]-7,18-ビス(2-エチルヘキシル)-22-(4-{5'-ヘキシル-[2,2'-ビチオフェン]-5-イル}-5'-(5-ヘキシルチオフェン-2-イル)-[2,2'-ビチオフェン]-5-イル)-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
  • 11-[3,5-bis({5'-hexyl-[2,2'-bithiophen]-5-yl})thiophen-2-yl]-7,18-bis(2-ethylhexyl)-22-(4-{5'-hexyl-[2,2'-bithiophen]-5-yl}-5'-(5-hexylthiophen-2-yl)-[2,2'-bithiophen]-5-yl)-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)：
  • N,N′-Bis(2-ethylhexyl)-1,7-bis(5,5′′′′-dihexyl-2,2′:5′,2′′:4′′,2′′′:5′′′,2′′′′-quinquethiophene-5′′-yl)perylene-3,4:9,10-bis(dicarbimide)
Thsaurus map：
Thesaurus Map

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