Chem
J-GLOBAL ID：201107040089321972   Nikkaji number：J2.908.374F

N,N′-Bis(2-ethylhexyl)-1,7-bis(5,5′′′′-dihexyl-2,2′:5′,2′′:5′′,2′′′:5′′′,2′′′′-quinquethiophene-4′′-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′′:5′′,2′′′:5′′′,2′′′′-キンクエチオフェン-4′′-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/c1-9-17-23-27-33-65-37-45-79(111-65)83-49-51-87(115-83)91-59-75(99(119-91)89-55-53-85(117-89)81-47-39-67(113-81)35-29-25-19-11-3)73-57-77-95-71(101(107)105(103(77)109)61-63(15-7)31-21-13-5)44-42-70-94-74(58-78-96-72(43-41-69(98(94)96)93(73)97(70)95)102(108)106(104(78)110)62-64(16-8)32-22-14-6)76-60-92(88-52-50-84(116-88)80-46-38-66(112-80)34-28-24-18-10-2)120-100(76)90-56-54-86(118-90)82-48-40-68(114-82)36-30-26-20-12-4/h37-60,63-64H,9-36,61-62H2,1-8H3
InChI key： CPZVJDKDJGJKBW-UHFFFAOYSA-N
SMILES： CCCCCCc1ccc(s1)c1ccc(s1)c1cc(c(s1)c1ccc(s1)c1ccc(CCCCCC)s1)c1cc2c3c(ccc4c5c(cc6c7c(ccc(c1c34)c57)c(=O)n(CC(CC)CCCC)c6=O)c1cc(sc1c1ccc(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′′:5′′,2′′′:5′′′,2′′′′-キンクエチオフェン-4′′-イル)ペリレン-3,4:9,10-ビス(ジカルボイミド)
  • 11-[2,5-ビス({5'-ヘキシル-[2,2'-ビチオフェン]-5-イル})チオフェン-3-イル]-7,18-ビス(2-エチルヘキシル)-22-(5-{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]-4-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-[2,5-bis({5'-hexyl-[2,2'-bithiophen]-5-yl})thiophen-3-yl]-7,18-bis(2-ethylhexyl)-22-(5-{5'-hexyl-[2,2'-bithiophen]-5-yl}-5'-(5-hexylthiophen-2-yl)-[2,2'-bithiophen]-4-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′′:5′′,2′′′:5′′′,2′′′′-quinquethiophene-4′′-yl)perylene-3,4:9,10-bis(dicarbimide)
Thsaurus map：
Thesaurus Map

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