Chem
J-GLOBAL ID：201507012304322035   Nikkaji number：J3.415.476G

2,2′′-Dimethyl-5,5′,5′′-tris[3,5-bis(hexadecyloxy)phenyl]-3,2′:3′,3′′-terthiophene

2,2′′-ジメチル-5,5′,5′′-トリス[3,5-ビス(ヘキサデシルオキシ)フェニル]-3,2′:3′,3′′-テルチオフェン
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： C128H216O6S3
Molecular formula furigana： C128-H216-O6-S3
Molecular weight： 1947.310
InChI： InChI=1S/C128H216O6S3/c1-9-15-21-27-33-39-45-51-57-63-69-75-81-87-93-129-116-99-113(100-117(105-116)130-94-88-82-76-70-64-58-52-46-40-34-28-22-16-10-2)125-108-122(111(7)135-125)124-110-127(115-103-120(133-97-91-85-79-73-67-61-55-49-43-37-31-25-19-13-5)107-121(104-115)134-98-92-86-80-74-68-62-56-50-44-38-32-26-20-14-6)137-128(124)123-109-126(136-112(123)8)114-101-118(131-95-89-83-77-71-65-59-53-47-41-35-29-23-17-11-3)106-119(102-114)132-96-90-84-78-72-66-60-54-48-42-36-30-24-18-12-4/h99-110H,9-98H2,1-8H3
InChI key： CACJMPLLTGCRHX-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCCCCCOc1cc(OCCCCCCCCCCCCCCCC)cc(c1)c1cc(c(C)s1)c1cc(sc1c1cc(sc1C)c1cc(OCCCCCCCCCCCCCCCC)cc(OCCCCCCCCCCCCCCCC)c1)c1cc(OCCCCCCCCCCCCCCCC)cc(OCCCCCCCCCCCCCCCC)c1
Systematic name  (5)：
  • 2,2′′-ジメチル-5,5′,5′′-トリス[3,5-ビス(ヘキサデシルオキシ)フェニル]-3,2′:3′,3′′-テルチオフェン
  • 2,3-ビス[2-メチル-5-[3,5-ビス(ヘキサデシルオキシ)フェニル]-3-チエニル]-5-[3,5-ビス(ヘキサデシルオキシ)フェニル]チオフェン
  • 5,5′,5′′-トリス[3,5-ビス(ヘキサデシルオキシ)フェニル]-2,2′′-ジメチル-3,2′:3′,3′′-テルチオフェン
  • 5,5'-ビス[3,5-ビス(ヘキサデシルオキシ)フェニル]-3-{5-[3,5-ビス(ヘキサデシルオキシ)フェニル]-2-メチルチオフェン-3-イル}-2'-メチル-2,3'-ビチオフェン
  • 5,5'-bis[3,5-bis(hexadecyloxy)phenyl]-3-{5-[3,5-bis(hexadecyloxy)phenyl]-2-methylthiophen-3-yl}-2'-methyl-2,3'-bithiophene
Other name (3)：
  • 2,2′′-Dimethyl-5,5′,5′′-tris[3,5-bis(hexadecyloxy)phenyl]-3,2′:3′,3′′-terthiophene
  • 2,3-Bis[2-methyl-5-[3,5-bis(hexadecyloxy)phenyl]-3-thienyl]-5-[3,5-bis(hexadecyloxy)phenyl]thiophene
  • 5,5′,5′′-Tris[3,5-bis(hexadecyloxy)phenyl]-2,2′′-dimethyl-3,2′:3′,3′′-terthiophene
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