Chem
J-GLOBAL ID：200907084510742124   Nikkaji number：J1.658.050C

2,8,12,18-Tetraethyl-3,7,13,17-tetramethyl-5-[17-[4-[1,3,5,7-tetraoxo-6-(3,3-diphenylpropyl)-1,2,3,5,6,7-hexahydrobenzo[1,2-c:4,5-c′]dipyrrol-2-ylmethyl]benzoylamino]-25,27-dipropoxy-26,28-bis[3,5-di(tert-butyl)benzyloxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecen-5-yl]-15-phenyl-21H,23H-porphyrin

2,8,12,18-テトラエチル-3,7,13,17-テトラメチル-5-[17-[4-[1,3,5,7-テトラオキソ-6-(3,3-ジフェニルプロピル)-1,2,3,5,6,7-ヘキサヒドロベンゾ[1,2-c:4,5-c′]ジピロール-2-イルメチル]ベンゾイルアミノ]-25,27-ジプロポキシ-26,28-ビス[3,5-ジ(tert-ブチル)ベンジルオキシ]ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-5-イル]-15-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： C135H143N7O9
Molecular formula furigana： C135-H143-N7-O9
Molecular weight： 2007.669
InChI： InChI=1S/C135H143N7O9/c1-23-56-148-123-90-46-38-48-92(123)64-97-68-103(136-127(143)89-52-50-83(51-53-89)76-142-130(146)111-72-109-110(73-112(111)131(142)147)129(145)141(128(109)144)55-54-108(86-40-32-29-33-41-86)87-42-34-30-35-43-87)69-98(126(97)151-78-85-60-101(134(17,18)19)71-102(61-85)135(20,21)22)65-93-49-39-47-91(124(93)149-57-24-2)63-96-67-94(66-95(62-90)125(96)150-77-84-58-99(132(11,12)13)70-100(59-84)133(14,15)16)118-121-81(9)106(27-5)115(139-121)74-113-104(25-3)79(7)119(137-113)117(88-44-36-31-37-45-88)120-80(8)105(26-4)114(138-120)75-116-107(28-6)82(10)122(118)140-116/h29-53,58-61,66-75,108,137,140H,23-28,54-57,62-65,76-78H2,1-22H3,(H,136,143)/b113-74-,114-75-,115-74?,116-75?,119-117-,120-117?,121-118-,122-118?
InChI key： WXFUYFOECSJVOK-QTYBXCAMSA-N
SMILES： CCCOc1c2Cc3cc(NC(=O)c4ccc(Cn5c(=O)c6cc7c(cc6c5=O)c(=O)n(CCC(c5ccccc5)c5ccccc5)c7=O)cc4)cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5OCc1cc(cc(c1)C(C)(C)C)C(C)(C)C)C1=c2[nH]c(=CC5=NC(=C(c6[nH]c(C=C7N=C1C(=C7CC)C)c(c6C)CC)c1ccccc1)C(=C5CC)C)c(c2C)CC)c4OCCC)c3OCc1cc(cc(c1)C(C)(C)C)C(C)(C)C
Systematic name  (3)：
  • 2,8,12,18-テトラエチル-3,7,13,17-テトラメチル-5-[17-[4-[1,3,5,7-テトラオキソ-6-(3,3-ジフェニルプロピル)-1,2,3,5,6,7-ヘキサヒドロベンゾ[1,2-c:4,5-c′]ジピロール-2-イルメチル]ベンゾイルアミノ]-25,27-ジプロポキシ-26,28-ビス[3,5-ジ(tert-ブチル)ベンジルオキシ]ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-5-イル]-15-フェニル-21H,23H-ポルフィリン
  • N-{26,28-ビス[(3,5-ジ-tert-ブチルフェニル)メトキシ]-25,27-ジプロポキシ-17-{5,9,15,19-テトラエチル-4,10,14,20-テトラメチル-12-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}ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-5-イル}-4-{[6-(3,3-ジフェニルプロピル)-1,3,5,7-テトラオキソ-1H,2H,3H,5H,6H,7H-ピロロ[3,4-f]イソインドール-2-イル]メチル}ベンズアミド
  • N-{26,28-bis[(3,5-di-tert-butylphenyl)methoxy]-25,27-dipropoxy-17-{5,9,15,19-tetraethyl-4,10,14,20-tetramethyl-12-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}pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-5-yl}-4-{[6-(3,3-diphenylpropyl)-1,3,5,7-tetraoxo-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindol-2-yl]methyl}benzamide
Other name (1)：
  • 2,8,12,18-Tetraethyl-3,7,13,17-tetramethyl-5-[17-[4-[1,3,5,7-tetraoxo-6-(3,3-diphenylpropyl)-1,2,3,5,6,7-hexahydrobenzo[1,2-c:4,5-c′]dipyrrol-2-ylmethyl]benzoylamino]-25,27-dipropoxy-26,28-bis[3,5-di(tert-butyl)benzyloxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecen-5-yl]-15-phenyl-21H,23H-porphyrin
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