Chem
J-GLOBAL ID：201107007169411894   Nikkaji number：J2.985.580C

2,2′′-[[(6aS,6bS)-6a,6b-Dimethyl-2,3,6a,6b-tetrahydro-6,7-dithia-1H-trindene-5,8-diyl]bis[(4,1-phenylene)oxy(11,1-undecanediyl)oxy]]bis[2′-[11-(4′-cyano-4-biphenylyloxy)undecyloxy]-1,1′-binaphthalene]

2,2′′-[[(6aS,6bS)-6a,6b-ジメチル-2,3,6a,6b-テトラヒドロ-6,7-ジチア-1H-トリンデン-5,8-ジイル]ビス[(4,1-フェニレン)オキシ(11,1-ウンデカンジイル)オキシ]]ビス[2′-[11-(4′-シアノ-4-ビフェニリルオキシ)ウンデシルオキシ]-1,1′-ビナフタレン]
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： C137H150N2O8S2
Molecular formula furigana： C137-H150-N2-O8-S2
Molecular weight： 2016.830
InChI： InChI=1S/C137H150N2O8S2/c1-136-124(98-130(148-136)112-70-82-116(83-71-112)142-92-41-25-17-9-5-13-21-29-45-96-146-128-88-76-110-50-33-37-54-120(110)134(128)132-118-52-35-31-48-108(118)74-86-126(132)144-94-43-27-19-11-3-7-15-23-39-90-140-114-78-66-106(67-79-114)104-62-58-102(100-138)59-63-104)122-56-47-57-123(122)125-99-131(149-137(125,136)2)113-72-84-117(85-73-113)143-93-42-26-18-10-6-14-22-30-46-97-147-129-89-77-111-51-34-38-55-121(111)135(129)133-119-53-36-32-49-109(119)75-87-127(133)145-95-44-28-20-12-4-8-16-24-40-91-141-115-80-68-107(69-81-115)105-64-60-103(101-139)61-65-105/h31-38,48-55,58-89,98-99H,3-30,39-47,56-57,90-97H2,1-2H3/t136-,137-/m0/s1
InChI key： QNUXJQMENYVDIX-BGNOYDTCSA-N
SMILES： C[C@]12SC(=CC1=C1CCCC1=C1C=C(S[C@]21C)c1ccc(OCCCCCCCCCCCOc2ccc3ccccc3c2c2c(OCCCCCCCCCCCOc3ccc(cc3)c3ccc(cc3)C#N)ccc3ccccc23)cc1)c1ccc(OCCCCCCCCCCCOc2ccc3ccccc3c2c2c(OCCCCCCCCCCCOc3ccc(cc3)c3ccc(cc3)C#N)ccc3ccccc23)cc1
Systematic name  (3)：
  • 2,2′′-[[(6aS,6bS)-6a,6b-ジメチル-2,3,6a,6b-テトラヒドロ-6,7-ジチア-1H-トリンデン-5,8-ジイル]ビス[(4,1-フェニレン)オキシ(11,1-ウンデカンジイル)オキシ]]ビス[2′-[11-(4′-シアノ-4-ビフェニリルオキシ)ウンデシルオキシ]-1,1′-ビナフタレン]
  • 4'-{[11-({2'-[(11-{4-[(1S,2S)-14-[4-({11-[(2'-{[11-({4'-シアノ-[1,1'-ビフェニル]-4-イル}オキシ)ウンデシル]オキシ}-[1,1'-ビナフタレン]-2-イル)オキシ]ウンデシル}オキシ)フェニル]-1,2-ジメチル-3,15-ジチアテトラシクロ[10.3.0.02,6.07,11]ペンタデカ-4,6,11,13-テトラエン-4-イル]フェノキシ}ウンデシル)オキシ]-[1,1'-ビナフタレン]-2-イル}オキシ)ウンデシル]オキシ}-[1,1'-ビフェニル]-4-カルボニトリル
  • 4'-{[11-({2'-[(11-{4-[(1S,2S)-14-[4-({11-[(2'-{[11-({4'-cyano-[1,1'-biphenyl]-4-yl}oxy)undecyl]oxy}-[1,1'-binaphthalen]-2-yl)oxy]undecyl}oxy)phenyl]-1,2-dimethyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenoxy}undecyl)oxy]-[1,1'-binaphthalen]-2-yl}oxy)undecyl]oxy}-[1,1'-biphenyl]-4-carbonitrile
Other name (1)：
  • 2,2′′-[[(6aS,6bS)-6a,6b-Dimethyl-2,3,6a,6b-tetrahydro-6,7-dithia-1H-trindene-5,8-diyl]bis[(4,1-phenylene)oxy(11,1-undecanediyl)oxy]]bis[2′-[11-(4′-cyano-4-biphenylyloxy)undecyloxy]-1,1′-binaphthalene]
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