Chem
J-GLOBAL ID：201407015231123935   Nikkaji number：J3.269.124B

5,10,15,20-Tetrakis[4-[3,5-bis(4-carboxybenzyloxy)benzyloxy]phenyl]-21H,23H-porphyrin

5,10,15,20-テトラキス[4-[3,5-ビス(4-カルボキシベンジルオキシ)ベンジルオキシ]フェニル]-21H,23H-ポルフィリン
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： C136H102N4O28
Molecular formula furigana： C136-H102-N4-O28
Molecular weight： 2240.312
InChI： InChI=1S/C136H102N4O28/c141-129(142)97-17-1-81(2-18-97)69-161-109-57-89(58-110(65-109)162-70-82-3-19-98(20-4-82)130(143)144)77-157-105-41-33-93(34-42-105)125-117-49-51-119(137-117)126(94-35-43-106(44-36-94)158-78-90-59-111(163-71-83-5-21-99(22-6-83)131(145)146)66-112(60-90)164-72-84-7-23-100(24-8-84)132(147)148)121-53-55-123(139-121)128(96-39-47-108(48-40-96)160-80-92-63-115(167-75-87-13-29-103(30-14-87)135(153)154)68-116(64-92)168-76-88-15-31-104(32-16-88)136(155)156)124-56-54-122(140-124)127(120-52-50-118(125)138-120)95-37-45-107(46-38-95)159-79-91-61-113(165-73-85-9-25-101(26-10-85)133(149)150)67-114(62-91)166-74-86-11-27-102(28-12-86)134(151)152/h1-68,137,140H,69-80H2,(H,141,142)(H,143,144)(H,145,146)(H,147,148)(H,149,150)(H,151,152)(H,153,154)(H,155,156)/b125-117-,125-118-,126-119-,126-121-,127-120-,127-122-,128-123-,128-124-
InChI key： WVAYDYPQDLSGPZ-WUVFUYLKSA-N
SMILES： OC(=O)c1ccc(COc2cc(COc3ccc(cc3)/C/3=c/4\cc/c(=C(/C5=N/C(=C(\c6ccc(/C(=C\7/C=CC3=N7)/c3ccc(OCc7cc(OCc8ccc(cc8)C(=O)O)cc(OCc8ccc(cc8)C(=O)O)c7)cc3)[nH]6)/c3ccc(OCc6cc(OCc7ccc(cc7)C(=O)O)cc(OCc7ccc(cc7)C(=O)O)c6)cc3)/C=C5)\c3ccc(OCc5cc(OCc6ccc(cc6)C(=O)O)cc(OCc6ccc(cc6)C(=O)O)c5)cc3)/[nH]4)cc(OCc3ccc(cc3)C(=O)O)c2)cc1
Systematic name  (3)：
  • 5,10,15,20-テトラキス[4-[3,5-ビス(4-カルボキシベンジルオキシ)ベンジルオキシ]フェニル]-21H,23H-ポルフィリン
  • 4-({3-[(4-カルボキシフェニル)メトキシ]-5-[(4-{7,12,17-トリス[4-({3,5-ビス[(4-カルボキシフェニル)メトキシ]フェニル}メトキシ)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]フェノキシ}メチル)安息香酸
  • 4-({3-[(4-carboxyphenyl)methoxy]-5-[(4-{7,12,17-tris[4-({3,5-bis[(4-carboxyphenyl)methoxy]phenyl}methoxy)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]phenoxy}methyl)benzoic acid
Other name (1)：
  • 5,10,15,20-Tetrakis[4-[3,5-bis(4-carboxybenzyloxy)benzyloxy]phenyl]-21H,23H-porphyrin
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