Chem
J-GLOBAL ID：201807016716201310
Nikkaji number：J3.722.065E
N,N′-[1,6-Pyrenediylbis(ethynylene-p-phenylene)]bis[3,4,5-tris[4-[2,2-bis(1,3-diaminopropane-2-yloxymethyl)ethoxy]benzyloxy]benzamide]
N,N′-[1,6-ピレンジイルビス(エチニレン-p-フェニレン)]ビス[3,4,5-トリス[4-[2,2-ビス(1,3-ジアミノプロパン-2-イルオキシメチル)エトキシ]ベンジルオキシ]ベンズアミド]
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： C148H208N26O26
Molecular formula furigana： C148-H208-N26-O26
Molecular weight： 2767.448
InChI：
InChI=1S/C148H208N26O26/c149-49-125(50-150)183-85-105(86-184-126(51-151)52-152)79-177-119-31-7-99(8-32-119)73-195-139-45-115(46-140(196-74-100-9-33-120(34-10-100)178-80-106(87-185-127(53-153)54-154)88-186-128(55-155)56-156)145(139)199-77-103-15-39-123(40-16-103)181-83-109(93-191-133(65-165)66-166)94-192-134(67-167)68-168)147(175)173-117-27-3-97(4-28-117)1-19-111-21-23-113-26-44-138-112(22-24-114-25-43-137(111)143(113)144(114)138)20-2-98-5-29-118(30-6-98)174-148(176)116-47-141(197-75-101-11-35-121(36-12-101)179-81-107(89-187-129(57-157)58-158)90-188-130(59-159)60-160)146(200-78-104-17-41-124(42-18-104)182-84-110(95-193-135(69-169)70-170)96-194-136(71-171)72-172)142(48-116)198-76-102-13-37-122(38-14-102)180-82-108(91-189-131(61-161)62-162)92-190-132(63-163)64-164/h3-18,21-48,105-110,125-136H,49-96,149-172H2,(H,173,175)(H,174,176)
InChI key：
ONPRTJXZZQXENL-UHFFFAOYSA-N
SMILES：
NCC(CN)OCC(COC(CN)CN)COc1ccc(COc2cc(cc(OCc3ccc(OCC(COC(CN)CN)COC(CN)CN)cc3)c2OCc2ccc(OCC(COC(CN)CN)COC(CN)CN)cc2)C(=O)Nc2ccc(cc2)C#Cc2ccc3ccc4c(ccc5ccc2c3c45)C#Cc2ccc(NC(=O)c3cc(OCc4ccc(OCC(COC(CN)CN)COC(CN)CN)cc4)c(OCc4ccc(OCC(COC(CN)CN)COC(CN)CN)cc4)c(OCc4ccc(OCC(COC(CN)CN)COC(CN)CN)cc4)c3)cc2)cc1
Systematic name (3)：
- N,N′-[1,6-ピレンジイルビス(エチニレン-p-フェニレン)]ビス[3,4,5-トリス[4-[2,2-ビス(1,3-ジアミノプロパン-2-イルオキシメチル)エトキシ]ベンジルオキシ]ベンズアミド]
- 3,4,5-トリス[(4-{3-[(1,3-ジアミノプロパン-2-イル)オキシ]-2-{[(1,3-ジアミノプロパン-2-イル)オキシ]メチル}プロポキシ}フェニル)メトキシ]-N-[4-(2-{6-[2-(4-{3,4,5-トリス[(4-{3-[(1,3-ジアミノプロパン-2-イル)オキシ]-2-{[(1,3-ジアミノプロパン-2-イル)オキシ]メチル}プロポキシ}フェニル)メトキシ]ベンズアミド}フェニル)エチニル]ピレン-1-イル}エチニル)フェニル]ベンズアミド
- 3,4,5-tris[(4-{3-[(1,3-diaminopropan-2-yl)oxy]-2-{[(1,3-diaminopropan-2-yl)oxy]methyl}propoxy}phenyl)methoxy]-N-[4-(2-{6-[2-(4-{3,4,5-tris[(4-{3-[(1,3-diaminopropan-2-yl)oxy]-2-{[(1,3-diaminopropan-2-yl)oxy]methyl}propoxy}phenyl)methoxy]benzamido}phenyl)ethynyl]pyren-1-yl}ethynyl)phenyl]benzamide
- N,N′-[1,6-Pyrenediylbis(ethynylene-p-phenylene)]bis[3,4,5-tris[4-[2,2-bis(1,3-diaminopropane-2-yloxymethyl)ethoxy]benzyloxy]benzamide]
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