Chem
J-GLOBAL ID:200907049159554812   Nikkaji number:J2.677.655D

[[5′,5′′′-Bis[[4-[10,15,20-tris[4-(2-ethylhexyloxy)phenyl]-21H,23H-porphyrin-5-yl]phenoxy]methyl]-1,1′:3′,1′′:4′′,1′′′:3′′′,1′′′′-quinquebenzene-4,4′′′′-diylbis(methyleneoxy)]bis(4,2,6-pyridinetriyl)]tetrakis(N-butylformamide)

[[5′,5′′′-ビス[[4-[10,15,20-トリス[4-(2-エチルヘキシルオキシ)フェニル]-21H,23H-ポルフィリン-5-イル]フェノキシ]メチル]-1,1′:3′,1′′:4′′,1′′′:3′′′,1′′′′-キンクエベンゼン-4,4′′′′-ジイルビス(メチレンオキシ)]ビス(4,2,6-ピリジントリイル)]テトラキス(N-ブチルホルムアミド)
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: C200H224N14O14
Molecular formula furigana: C200-H224-N14-O14
Molecular weight: 3048.076
InChI: InChI=1S/C200H224N14O14/c1-17-33-43-133(27-11)123-219-159-77-61-147(62-78-159)189-169-93-97-173(205-169)191(149-65-81-161(82-66-149)221-125-135(29-13)45-35-19-3)177-101-105-181(209-177)195(182-106-102-178(210-182)192(174-98-94-170(189)206-174)150-67-83-162(84-68-150)222-126-136(30-14)46-36-20-4)153-73-89-165(90-74-153)225-131-141-113-155(143-53-49-139(50-54-143)129-227-167-119-185(197(215)201-109-39-23-7)213-186(120-167)198(216)202-110-40-24-8)117-157(115-141)145-57-59-146(60-58-145)158-116-142(114-156(118-158)144-55-51-140(52-56-144)130-228-168-121-187(199(217)203-111-41-25-9)214-188(122-168)200(218)204-112-42-26-10)132-226-166-91-75-154(76-92-166)196-183-107-103-179(211-183)193(151-69-85-163(86-70-151)223-127-137(31-15)47-37-21-5)175-99-95-171(207-175)190(148-63-79-160(80-64-148)220-124-134(28-12)44-34-18-2)172-96-100-176(208-172)194(180-104-108-184(196)212-180)152-71-87-164(88-72-152)224-128-138(32-16)48-38-22-6/h49-108,113-122,133-138,205,207,210,212H,17-48,109-112,123-132H2,1-16H3,(H,201,215)(H,202,216)(H,203,217)(H,204,218)/b189-169-,189-170-,190-171-,190-172-,191-173-,191-177-,192-174-,192-178-,193-175-,193-179-,194-176-,194-180-,195-181-,195-182-,196-183-,196-184-
InChI key: MPIPUVVXMDZULW-WCOGTGLASA-N
SMILES: CCCCNC(=O)c1cc(OCc2ccc(cc2)c2cc(COc3ccc(cc3)/C/3=c/4\cc/c(=C(/C5=N/C(=C(\c6ccc(/C(=C\7/C=CC3=N7)/c3ccc(OCC(CC)CCCC)cc3)[nH]6)/c3ccc(OCC(CC)CCCC)cc3)/C=C5)\c3ccc(OCC(CC)CCCC)cc3)/[nH]4)cc(c2)c2ccc(cc2)c2cc(COc3ccc(cc3)/C/3=c/4\cc/c(=C(/C5=N/C(=C(\c6ccc(/C(=C\7/C=CC3=N7)/c3ccc(OCC(CC)CCCC)cc3)[nH]6)/c3ccc(OCC(CC)CCCC)cc3)/C=C5)\c3ccc(OCC(CC)CCCC)cc3)/[nH]4)cc(c2)c2ccc(COc3cc(nc(c3)C(=O)NCCCC)C(=O)NCCCC)cc2)cc(n1)C(=O)NCCCC
Systematic name  (3):
  • [[5′,5′′′-ビス[[4-[10,15,20-トリス[4-(2-エチルヘキシルオキシ)フェニル]-21H,23H-ポルフィリン-5-イル]フェノキシ]メチル]-1,1′:3′,1′′:4′′,1′′′:3′′′,1′′′′-キンクエベンゼン-4,4′′′′-ジイルビス(メチレンオキシ)]ビス(4,2,6-ピリジントリイル)]テトラキス(N-ブチルホルムアミド)
  • 4-[(4-{4'-[4'-({[2,6-ビス(ブチルカルバモイル)ピリジン-4-イル]オキシ}メチル)-5-({4-[7,12,17-トリス({4-[(2-エチルヘキシル)オキシ]フェニル})-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル]フェノキシ}メチル)-[1,1'-ビフェニル]-3-イル]-5-({4-[7,12,17-トリス({4-[(2-エチルヘキシル)オキシ]フェニル})-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル]フェノキシ}メチル)-[1,1'-ビフェニル]-3-イル}フェニル)メトキシ]-N2,N6-ジブチルピリジン-2,6-ジカルボキサミド
  • 4-[(4-{4'-[4'-({[2,6-bis(butylcarbamoyl)pyridin-4-yl]oxy}methyl)-5-({4-[7,12,17-tris({4-[(2-ethylhexyl)oxy]phenyl})-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]phenoxy}methyl)-[1,1'-biphenyl]-3-yl]-5-({4-[7,12,17-tris({4-[(2-ethylhexyl)oxy]phenyl})-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]phenoxy}methyl)-[1,1'-biphenyl]-3-yl}phenyl)methoxy]-N2,N6-dibutylpyridine-2,6-dicarboxamide
Other name (1):
  • [[5′,5′′′-Bis[[4-[10,15,20-tris[4-(2-ethylhexyloxy)phenyl]-21H,23H-porphyrin-5-yl]phenoxy]methyl]-1,1′:3′,1′′:4′′,1′′′:3′′′,1′′′′-quinquebenzene-4,4′′′′-diylbis(methyleneoxy)]bis(4,2,6-pyridinetriyl)]tetrakis(N-butylformamide)
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