Chem
J-GLOBAL ID：200907072846567918   Nikkaji number：J2.117.468H

[4′′-[4-(Benzyloxycarbonylamino)butyrylamino]-2′,3′,5′-triphenyl-1,1′:4′,1′′-terbenzene-4-yl]tris(2′,5′-diphenyl-3′,4′-bis(4-ethynylphenyl)-4-biphenylyl)methane

[4′′-[4-(ベンジルオキシカルボニルアミノ)ブチリルアミノ]-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
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： C169H114N2O3
Molecular formula furigana： C169-H114-N2-O3
Molecular weight： 2220.782
InChI： InChI=1S/C169H114N2O3/c1-7-115-65-77-135(78-66-115)160-147(122-46-25-14-26-47-122)110-152(157(131-56-35-19-36-57-131)165(160)139-83-71-118(10-4)72-84-139)127-91-101-143(102-92-127)169(144-103-93-128(94-104-144)153-111-148(123-48-27-15-28-49-123)161(136-79-67-116(8-2)68-80-136)166(140-85-73-119(11-5)74-86-140)158(153)132-58-37-20-38-59-132,145-105-95-129(96-106-145)154-112-149(124-50-29-16-30-51-124)162(137-81-69-117(9-3)70-82-137)167(141-87-75-120(12-6)76-88-141)159(154)133-60-39-21-40-61-133)142-99-89-126(90-100-142)151-113-150(125-52-31-17-32-53-125)163(164(134-62-41-22-42-63-134)156(151)130-54-33-18-34-55-130)138-97-107-146(108-98-138)171-155(172)64-43-109-170-168(173)174-114-121-44-23-13-24-45-121/h1-6,13-42,44-63,65-108,110-113H,43,64,109,114H2,(H,170,173)(H,171,172)
InChI key： YTDAJRXFJCUEMT-UHFFFAOYSA-N
SMILES： O=C(CCCNC(=O)OCc1ccccc1)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′′-[4-(ベンジルオキシカルボニルアミノ)ブチリルアミノ]-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
  • ベンジル N-(3-{[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}プロピル)カルバマート
  • benzyl N-(3-{[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}propyl)carbamate
Other name (1)：
  • [4′′-[4-(Benzyloxycarbonylamino)butyrylamino]-2′,3′,5′-triphenyl-1,1′:4′,1′′-terbenzene-4-yl]tris(2′,5′-diphenyl-3′,4′-bis(4-ethynylphenyl)-4-biphenylyl)methane
Thsaurus map：
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