Chem
J-GLOBAL ID：200907046191860365   Nikkaji number：J1.976.110J

5,10,15,20-Tetrakis[2,6-bis(10-carboxydecyloxy)-4-carboxyphenyl]-21H,23H-porphyrin

5,10,15,20-テトラキス[2,6-ビス(10-カルボキシデシルオキシ)-4-カルボキシフェニル]-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： C136H190N4O32
Molecular formula furigana： C136-H190-N4-O32
Molecular weight： 2393.012
InChI： InChI=1S/C136H190N4O32/c141-117(142)65-49-33-17-1-9-25-41-57-81-165-109-89-97(133(157)158)90-110(166-82-58-42-26-10-2-18-34-50-66-118(143)144)129(109)125-101-73-75-103(137-101)126(130-111(167-83-59-43-27-11-3-19-35-51-67-119(145)146)91-98(134(159)160)92-112(130)168-84-60-44-28-12-4-20-36-52-68-120(147)148)105-77-79-107(139-105)128(132-115(171-87-63-47-31-15-7-23-39-55-71-123(153)154)95-100(136(163)164)96-116(132)172-88-64-48-32-16-8-24-40-56-72-124(155)156)108-80-78-106(140-108)127(104-76-74-102(125)138-104)131-113(169-85-61-45-29-13-5-21-37-53-69-121(149)150)93-99(135(161)162)94-114(131)170-86-62-46-30-14-6-22-38-54-70-122(151)152/h73-80,89-96,137,140H,1-72,81-88H2,(H,141,142)(H,143,144)(H,145,146)(H,147,148)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H,159,160)(H,161,162)(H,163,164)/b125-101+,125-102?,126-103+,126-105?,127-104+,127-106?,128-107+,128-108?
InChI key： CZAVKFPQWLVYEL-HGSWDAEPSA-N
SMILES： OC(=O)CCCCCCCCCCOc1cc(cc(OCCCCCCCCCCC(=O)O)c1C1=c2ccc(=C(C3=NC(=C(c4ccc(C(=C5C=CC1=N5)c1c(OCCCCCCCCCCC(=O)O)cc(cc1OCCCCCCCCCCC(=O)O)C(=O)O)[nH]4)c1c(OCCCCCCCCCCC(=O)O)cc(cc1OCCCCCCCCCCC(=O)O)C(=O)O)C=C3)c1c(OCCCCCCCCCCC(=O)O)cc(cc1OCCCCCCCCCCC(=O)O)C(=O)O)[nH]2)C(=O)O
Systematic name  (3)：
  • 5,10,15,20-テトラキス[2,6-ビス(10-カルボキシデシルオキシ)-4-カルボキシフェニル]-21H,23H-ポルフィリン
  • 3,5-ビス[(10-カルボキシデシル)オキシ]-4-[7,12,17-トリス({4-カルボキシ-2,6-ビス[(10-カルボキシデシル)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]安息香酸
  • 3,5-bis[(10-carboxydecyl)oxy]-4-[7,12,17-tris({4-carboxy-2,6-bis[(10-carboxydecyl)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]benzoic acid
Other name (1)：
  • 5,10,15,20-Tetrakis[2,6-bis(10-carboxydecyloxy)-4-carboxyphenyl]-21H,23H-porphyrin
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