Chem
J-GLOBAL ID：200907080310318470
Nikkaji number：J2.117.469F
[4′′-[5-(Methoxycarbonyl)pentanoylamino]-2′,3′,5′-triphenyl-1,1′:4′,1′′-terbenzene-4-yl]tris(2′,5′-diphenyl-3′,4′-bis(4-ethynylphenyl)-4-biphenylyl)methane
[4′′-[5-(メトキシカルボニル)ペンタノイルアミノ]-2′,3′,5′-トリフェニル-1,1′:4′,1′′-テルベンゼン-4-イル]トリス(2′,5′-ジフェニル-3′,4′-ビス(4-エチニルフェニル)-4-ビフェニリル)メタン
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： C164H111NO3
Molecular formula furigana： C164-H111-N-O3
Molecular weight： 2143.696
InChI：
InChI=1S/C164H111NO3/c1-8-111-63-75-130(76-64-111)156-142(117-43-23-14-24-44-117)107-147(153(126-53-33-19-34-54-126)161(156)134-81-69-114(11-4)70-82-134)122-89-99-138(100-90-122)164(139-101-91-123(92-102-139)148-108-143(118-45-25-15-26-46-118)157(131-77-65-112(9-2)66-78-131)162(135-83-71-115(12-5)72-84-135)154(148)127-55-35-20-36-56-127,140-103-93-124(94-104-140)149-109-144(119-47-27-16-28-48-119)158(132-79-67-113(10-3)68-80-132)163(136-85-73-116(13-6)74-86-136)155(149)128-57-37-21-38-58-128)137-97-87-121(88-98-137)146-110-145(120-49-29-17-30-50-120)159(160(129-59-39-22-40-60-129)152(146)125-51-31-18-32-52-125)133-95-105-141(106-96-133)165-150(166)61-41-42-62-151(167)168-7/h1-6,14-40,43-60,63-110H,41-42,61-62H2,7H3,(H,165,166)
InChI key：
MCAYTKHOYCIIDT-UHFFFAOYSA-N
SMILES：
COC(=O)CCCCC(=O)Nc1ccc(cc1)c1c(cc(c2ccc(cc2)C(c2ccc(cc2)c2cc(c3ccccc3)c(c3ccc(cc3)C#C)c(c3ccc(cc3)C#C)c2c2ccccc2)(c2ccc(cc2)c2cc(c3ccccc3)c(c3ccc(cc3)C#C)c(c3ccc(cc3)C#C)c2c2ccccc2)c2ccc(cc2)c2cc(c3ccccc3)c(c3ccc(cc3)C#C)c(c3ccc(cc3)C#C)c2c2ccccc2)c(c2ccccc2)c1c1ccccc1)c1ccccc1
Systematic name (3)：
- [4′′-[5-(メトキシカルボニル)ペンタノイルアミノ]-2′,3′,5′-トリフェニル-1,1′:4′,1′′-テルベンゼン-4-イル]トリス(2′,5′-ジフェニル-3′,4′-ビス(4-エチニルフェニル)-4-ビフェニリル)メタン
- メチル 5-{[4-(3,4-ジフェニル-5-{4-[トリス({4-[5,6-ビス(4-エチニルフェニル)-4-フェニル-[1,1'-ビフェニル]-2-イル]フェニル})メチル]フェニル}-[1,1'-ビフェニル]-2-イル)フェニル]カルバモイル}ペンタノアート
- methyl 5-{[4-(3,4-diphenyl-5-{4-[tris({4-[5,6-bis(4-ethynylphenyl)-4-phenyl-[1,1'-biphenyl]-2-yl]phenyl})methyl]phenyl}-[1,1'-biphenyl]-2-yl)phenyl]carbamoyl}pentanoate
- [4′′-[5-(Methoxycarbonyl)pentanoylamino]-2′,3′,5′-triphenyl-1,1′:4′,1′′-terbenzene-4-yl]tris(2′,5′-diphenyl-3′,4′-bis(4-ethynylphenyl)-4-biphenylyl)methane
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