Chem
J-GLOBAL ID：201407007858944354   Nikkaji number：J3.289.349J

5,15-Bis(3,5-di-tert-butylphenyl)-10-[4-[[1-[2-(methacryloyloxy)ethyl]-1H-1,2,3-triazole-4-ylmethoxy]carbonyl]phenyl]-20-(4-carboxyphenyl)-21H,23H-porphyrin

5,15-ビス(3,5-ジ-tert-ブチルフェニル)-10-[4-[[1-[2-(メタクリロイルオキシ)エチル]-1H-1,2,3-トリアゾール-4-イルメトキシ]カルボニル]フェニル]-20-(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： C71H73N7O6
Molecular formula furigana： C71-H73-N7-O6
Molecular weight： 1120.408
InChI： InChI=1S/C71H73N7O6/c1-41(2)66(81)83-32-31-78-39-52(76-77-78)40-84-67(82)45-21-17-43(18-22-45)62-55-25-29-59(74-55)63(46-33-48(68(3,4)5)37-49(34-46)69(6,7)8)57-27-23-53(72-57)61(42-15-19-44(20-16-42)65(79)80)54-24-28-58(73-54)64(60-30-26-56(62)75-60)47-35-50(70(9,10)11)38-51(36-47)71(12,13)14/h15-30,33-39,72,75H,1,31-32,40H2,2-14H3,(H,79,80)/b61-53-,61-54-,62-55-,62-56-,63-57-,63-59-,64-58-,64-60-
InChI key： NCDBVWZOZCVUAX-AJIYHSCXSA-N
SMILES： CC(=C)C(=O)OCCn1cc(COC(=O)c2ccc(cc2)/C/2=c/3\cc/c(=C(/C4=N/C(=C(\c5ccc(/C(=C\6/C=CC2=N6)/c2cc(cc(c2)C(C)(C)C)C(C)(C)C)[nH]5)/c2ccc(cc2)C(=O)O)/C=C4)\c2cc(cc(c2)C(C)(C)C)C(C)(C)C)/[nH]3)nn1
Systematic name  (3)：
  • 5,15-ビス(3,5-ジ-tert-ブチルフェニル)-10-[4-[[1-[2-(メタクリロイルオキシ)エチル]-1H-1,2,3-トリアゾール-4-イルメトキシ]カルボニル]フェニル]-20-(4-カルボキシフェニル)-21H,23H-ポルフィリン
  • 4-[7,17-ビス(3,5-ジ-tert-ブチルフェニル)-12-(4-{[(1-{2-[(2-メチルプロパ-2-エノイル)オキシ]エチル}-1H-1,2,3-トリアゾール-4-イル)メトキシ]カルボニル}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-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン-2-イル]安息香酸
  • 4-[7,17-bis(3,5-di-tert-butylphenyl)-12-(4-{[(1-{2-[(2-methylprop-2-enoyl)oxy]ethyl}-1H-1,2,3-triazol-4-yl)methoxy]carbonyl}phenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl]benzoic acid
Other name (1)：
  • 5,15-Bis(3,5-di-tert-butylphenyl)-10-[4-[[1-[2-(methacryloyloxy)ethyl]-1H-1,2,3-triazole-4-ylmethoxy]carbonyl]phenyl]-20-(4-carboxyphenyl)-21H,23H-porphyrin
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