Chem
J-GLOBAL ID:200907013669265578
Nikkaji number:J1.403.380G
1,3,5-Tris(5′′′′′-iodo-3,4′,4′′,4′′′,4′′′′,4′′′′′-hexaoctyl-2,2′:5′,2′′:5′′,2′′′:5′′′,2′′′′:5′′′′,2′′′′′-sexithiophene-5-yl)benzene
1,3,5-トリス(5′′′′′-ヨード-3,4′,4′′,4′′′,4′′′′,4′′′′′-ヘキサオクチル-2,2′:5′,2′′:5′′,2′′′:5′′′,2′′′′:5′′′′,2′′′′′-セキシチオフェン-5-イル)ベンゼン
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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:
C222 H327 I3 S18
Molecular formula furigana:
C222-H327-I3-S18
Molecular weight:
3953.850
InChI:
InChI=1S/C222H327I3S18/c1-19-37-55-73-91-109-127-166-148-187(226-205(166)190-151-169(130-112-94-76-58-40-22-4)208(229-190)193-154-172(133-115-97-79-61-43-25-7)211(232-193)196-157-175(136-118-100-82-64-46-28-10)214(235-196)199-160-178(139-121-103-85-67-49-31-13)217(238-199)202-163-181(220(223)241-202)142-124-106-88-70-52-34-16)184-145-185(188-149-167(128-110-92-74-56-38-20-2)206(227-188)191-152-170(131-113-95-77-59-41-23-5)209(230-191)194-155-173(134-116-98-80-62-44-26-8)212(233-194)197-158-176(137-119-101-83-65-47-29-11)215(236-197)200-161-179(140-122-104-86-68-50-32-14)218(239-200)203-164-182(221(224)242-203)143-125-107-89-71-53-35-17)147-186(146-184)189-150-168(129-111-93-75-57-39-21-3)207(228-189)192-153-171(132-114-96-78-60-42-24-6)210(231-192)195-156-174(135-117-99-81-63-45-27-9)213(234-195)198-159-177(138-120-102-84-66-48-30-12)216(237-198)201-162-180(141-123-105-87-69-51-33-15)219(240-201)204-165-183(222(225)243-204)144-126-108-90-72-54-36-18/h145-165H,19-144H2,1-18H3
InChI key:
PYKXZXLJSNEDFZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1cc(sc1I)c1sc(cc1CCCCCCCC)c1sc(cc1CCCCCCCC)c1sc(cc1CCCCCCCC)c1sc(cc1CCCCCCCC)c1sc(cc1CCCCCCCC)c1cc(cc(c1)c1cc(CCCCCCCC)c(s1)c1cc(CCCCCCCC)c(s1)c1cc(CCCCCCCC)c(s1)c1cc(CCCCCCCC)c(s1)c1cc(CCCCCCCC)c(s1)c1cc(CCCCCCCC)c(I)s1)c1cc(CCCCCCCC)c(s1)c1cc(CCCCCCCC)c(s1)c1cc(CCCCCCCC)c(s1)c1cc(CCCCCCCC)c(s1)c1cc(CCCCCCCC)c(s1)c1cc(CCCCCCCC)c(I)s1
Systematic name (3):
1,3,5-トリス(5′′′′′-ヨード-3,4′,4′′,4′′′,4′′′′,4′′′′′-ヘキサオクチル-2,2′:5′,2′′:5′′,2′′′:5′′′,2′′′′:5′′′′,2′′′′′-セキシチオフェン-5-イル)ベンゼン
5-(5'-{3,5-ビス[5'-(5'-{5'-ヨード-3,4'-ジオクチル-[2,2'-ビチオフェン]-5-イル}-3,4'-ジオクチル-[2,2'-ビチオフェン]-5-イル)-3,4'-ジオクチル-[2,2'-ビチオフェン]-5-イル]フェニル}-3',4-ジオクチル-[2,2'-ビチオフェン]-5-イル)-5'-{5'-ヨード-3,4'-ジオクチル-[2,2'-ビチオフェン]-5-イル}-3,4'-ジオクチル-2,2'-ビチオフェン
5-(5'-{3,5-bis[5'-(5'-{5'-iodo-3,4'-dioctyl-[2,2'-bithiophen]-5-yl}-3,4'-dioctyl-[2,2'-bithiophen]-5-yl)-3,4'-dioctyl-[2,2'-bithiophen]-5-yl]phenyl}-3',4-dioctyl-[2,2'-bithiophen]-5-yl)-5'-{5'-iodo-3,4'-dioctyl-[2,2'-bithiophen]-5-yl}-3,4'-dioctyl-2,2'-bithiophene
Other name (1):
1,3,5-Tris(5′′′′′-iodo-3,4′,4′′,4′′′,4′′′′,4′′′′′-hexaoctyl-2,2′:5′,2′′:5′′,2′′′:5′′′,2′′′′:5′′′′,2′′′′′-sexithiophene-5-yl)benzene
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