Chem
J-GLOBAL ID：200907011345128524
Nikkaji number：J2.336.241D
N,N′′-[2,5-Bis[3,4′,4′′,4′′′-tetrakis(2-ethylhexyl)-2,2′:5′,2′′:5′′,2′′′-quaterthiophene-5-yl]-1,4-phenylenebisoxybis(trimethylene)]bis[N′-(1-heptyloctyl)perylene-3,4:9,10-bis(dicarbimide)]
N,N′′-[2,5-ビス[3,4′,4′′,4′′′-テトラキス(2-エチルヘキシル)-2,2′:5′,2′′:5′′,2′′′-クアテルチオフェン-5-イル]-1,4-フェニレンビスオキシビス(トリメチレン)]ビス[N′-(1-ヘプチルオクチル)ペリレン-3,4:9,10-ビス(ジカルボイミド)]
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： C186H238N4O10S8
Molecular formula furigana： C186-H238-N4-O10-S8
Molecular weight： 2946.450
InChI：
InChI=1S/C186H238N4O10S8/c1-21-41-53-57-61-75-135(76-62-58-54-42-22-2)189-183(195)149-91-83-141-137-79-87-145-169-146(88-80-138(165(137)169)142-84-92-150(184(189)196)171(149)167(141)142)180(192)187(179(145)191)95-65-97-199-155-115-154(158-110-130(102-122(36-16)70-48-28-8)176(204-158)162-114-134(106-126(40-20)74-52-32-12)178(208-162)164-112-132(104-124(38-18)72-50-30-10)174(206-164)160-108-128(118-202-160)100-120(34-14)68-46-26-6)156(200-98-66-96-188-181(193)147-89-81-139-143-85-93-151-172-152(94-86-144(168(143)172)140-82-90-148(182(188)194)170(147)166(139)140)186(198)190(185(151)197)136(77-63-59-55-43-23-3)78-64-60-56-44-24-4)116-153(155)157-109-129(101-121(35-15)69-47-27-7)175(203-157)161-113-133(105-125(39-19)73-51-31-11)177(207-161)163-111-131(103-123(37-17)71-49-29-9)173(205-163)159-107-127(117-201-159)99-119(33-13)67-45-25-5/h79-94,107-126,135-136H,21-78,95-106H2,1-20H3
InChI key：
FQNPLTWVKHTGTB-UHFFFAOYSA-N
SMILES：
CCCCCCCC(CCCCCCC)n1c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c1=O)c46)c(=O)n(CCCOc1cc(c2cc(CC(CC)CCCC)c(s2)c2cc(CC(CC)CCCC)c(s2)c2cc(CC(CC)CCCC)c(s2)c2cc(CC(CC)CCCC)cs2)c(OCCCn2c(=O)c3ccc4c6ccc7c8c(ccc(c9ccc(c3c49)c2=O)c68)c(=O)n(C(CCCCCCC)CCCCCCC)c7=O)cc1c1cc(CC(CC)CCCC)c(s1)c1cc(CC(CC)CCCC)c(s1)c1cc(CC(CC)CCCC)c(s1)c1cc(CC(CC)CCCC)cs1)c5=O
Systematic name (3)：
- N,N′′-[2,5-ビス[3,4′,4′′,4′′′-テトラキス(2-エチルヘキシル)-2,2′:5′,2′′:5′′,2′′′-クアテルチオフェン-5-イル]-1,4-フェニレンビスオキシビス(トリメチレン)]ビス[N′-(1-ヘプチルオクチル)ペリレン-3,4:9,10-ビス(ジカルボイミド)]
- 7-{3-[2,5-ビス({5'-[3,4'-ビス(2-エチルヘキシル)-[2,2'-ビチオフェン]-5-イル]-3,4'-ビス(2-エチルヘキシル)-[2,2'-ビチオフェン]-5-イル})-4-{3-[6,8,17,19-テトラオキソ-18-(ペンタデカン-8-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-7-イル]プロポキシ}フェノキシ]プロピル}-18-(ペンタデカン-8-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
- 7-{3-[2,5-bis({5'-[3,4'-bis(2-ethylhexyl)-[2,2'-bithiophen]-5-yl]-3,4'-bis(2-ethylhexyl)-[2,2'-bithiophen]-5-yl})-4-{3-[6,8,17,19-tetraoxo-18-(pentadecan-8-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-decaen-7-yl]propoxy}phenoxy]propyl}-18-(pentadecan-8-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
- N,N′′-[2,5-Bis[3,4′,4′′,4′′′-tetrakis(2-ethylhexyl)-2,2′:5′,2′′:5′′,2′′′-quaterthiophene-5-yl]-1,4-phenylenebisoxybis(trimethylene)]bis[N′-(1-heptyloctyl)perylene-3,4:9,10-bis(dicarbimide)]
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