Chem
J-GLOBAL ID:200907016797272624   Nikkaji number:J1.069.328D

1,4,7-Tris[3,5-bis[3,5-bis(3,5-dimethoxybenzyloxy)benzyloxy]benzyl]-1,4,7-triazacyclononane

1,4,7-トリス[3,5-ビス[3,5-ビス(3,5-ジメトキシベンジルオキシ)ベンジルオキシ]ベンジル]-1,4,7-トリアザシクロノナン
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: C177H189N3O42
Molecular formula furigana: C177-H189-N3-O42
Molecular weight: 3030.438
InChI: InChI=1S/C177H189N3O42/c1-181-136-37-118(38-137(73-136)182-2)97-211-166-61-130(62-167(88-166)212-98-119-39-138(183-3)74-139(40-119)184-4)109-205-160-31-115(32-161(85-160)206-110-131-63-168(213-99-120-41-140(185-5)75-141(42-120)186-6)89-169(64-131)214-100-121-43-142(187-7)76-143(44-121)188-8)94-178-25-27-179(95-116-33-162(207-111-132-65-170(215-101-122-45-144(189-9)77-145(46-122)190-10)90-171(66-132)216-102-123-47-146(191-11)78-147(48-123)192-12)86-163(34-116)208-112-133-67-172(217-103-124-49-148(193-13)79-149(50-124)194-14)91-173(68-133)218-104-125-51-150(195-15)80-151(52-125)196-16)29-30-180(28-26-178)96-117-35-164(209-113-134-69-174(219-105-126-53-152(197-17)81-153(54-126)198-18)92-175(70-134)220-106-127-55-154(199-19)82-155(56-127)200-20)87-165(36-117)210-114-135-71-176(221-107-128-57-156(201-21)83-157(58-128)202-22)93-177(72-135)222-108-129-59-158(203-23)84-159(60-129)204-24/h31-93H,25-30,94-114H2,1-24H3
InChI key: WBTAFMJEZLZKPE-UHFFFAOYSA-N
SMILES: COc1cc(COc2cc(COc3cc(CN4CCN(Cc5cc(OCc6cc(OCc7cc(OC)cc(OC)c7)cc(OCc7cc(OC)cc(OC)c7)c6)cc(OCc6cc(OCc7cc(OC)cc(OC)c7)cc(OCc7cc(OC)cc(OC)c7)c6)c5)CCN(Cc5cc(OCc6cc(OCc7cc(OC)cc(OC)c7)cc(OCc7cc(OC)cc(OC)c7)c6)cc(OCc6cc(OCc7cc(OC)cc(OC)c7)cc(OCc7cc(OC)cc(OC)c7)c6)c5)CC4)cc(OCc4cc(OCc5cc(OC)cc(OC)c5)cc(OCc5cc(OC)cc(OC)c5)c4)c3)cc(OCc3cc(OC)cc(OC)c3)c2)cc(OC)c1
Systematic name  (3):
  • 1,4,7-トリス[3,5-ビス[3,5-ビス(3,5-ジメトキシベンジルオキシ)ベンジルオキシ]ベンジル]-1,4,7-トリアザシクロノナン
  • 1,4,7-トリス({[3,5-ビス({3,5-ビス[(3,5-ジメトキシフェニル)メトキシ]フェニル}メトキシ)フェニル]メチル})-1,4,7-トリアゾナン
  • 1,4,7-tris({[3,5-bis({3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl}methoxy)phenyl]methyl})-1,4,7-triazonane
Other name (1):
  • 1,4,7-Tris[3,5-bis[3,5-bis(3,5-dimethoxybenzyloxy)benzyloxy]benzyl]-1,4,7-triazacyclononane
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