Chemical Compound

ethyl 4-{12-[4-(ethoxycarbonyl)phenyl]-7,17-bis({3-[12-(1-methyl-1H-imidazol-2-yl)-7,17-bis[3-(prop-2-en-1-yloxy)propyl]-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]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}benzoate

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ethyl 4-{12-[4-(ethoxycarbonyl)phenyl]-7,17-bis({3-[12-(1-methyl-1H-imidazol-2-yl)-7,17-bis[3-(prop-2-en-1-yloxy)propyl]-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]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}benzoate 结构式
Primary record

ethyl 4-{12-[4-(ethoxycarbonyl)phenyl]-7,17-bis({3-[12-(1-methyl-1H-imidazol-2-yl)-7,17-bis[3-(prop-2-en-1-yloxy)propyl]-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]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}benzoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
102187208
SMILES
CCOC(=O)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC(=C7)C8=C9C=CC(=C(C1=NC(=C(C2=CC=C(N2)C(=C2C=CC8=N2)CCCOCC=C)C2=NC=CN2C)C=C1)CCCOCC=C)N9)C1=CC=C(C=C1)C(=O)OCC)C=C4)C1=CC=CC(=C1)C1=C2C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C5C=CC1=N5)CCCOCC=C)C1=NC=CN1C)C=C4)CCCOCC=C)N2)N3
Canonical SMILES
C=CCOCCCc1c2nc(c(-c3nccn3C)c3ccc([nH]3)c(CCCOCC=C)c3nc(c(-c4cccc(-c5c6nc(c(-c7ccc(C(=O)OCC)cc7)c7ccc([nH]7)c(-c7cccc(-c8c9nc(c(CCCOCC=C)c%10ccc([nH]%10)c(-c%10nccn%10C)c%10nc(c(CCCOCC=C)c%11ccc8[nH]%11)C=C%10)C=C9)c7)c7nc(c(-c8ccc(C(=O)OCC)cc8)c8ccc5[nH]8)C=C7)C=C6)c4)c4ccc1[nH]4)C=C3)C=C2

名称与同义词

  • J2.319.905J
  • 20,20 -[5,15-Bis[4-(ethoxycarbonyl)phenyl]-21H,23H-porphyrin-10,20-diylbis(1,3-phenylene)]bis[5,15-bis[3-(allyloxy)propyl]-10-(1-methyl-1H-imidazole-2-yl)-21H,23H-porphyrin]
  • 4,4 -[10,20-Bis[3-[5,15-bis[3-(allyloxy)propyl]-10-(1-methyl-1H-imidazole-2-yl)-21H,23H-porphyrin-20-yl]phenyl]-21H,23H-porphyrin-5,15-diyl]bisbenzoic acid diethyl ester
  • 5,15-Bis[4-(ethoxycarbonyl)phenyl]-10,20-bis[3-[10,20-bis[3-(allyloxy)propyl]-15-(1-methyl-1H-imidazole-2-yl)-21H,23H-porphyrin-5-yl]phenyl]-21H,23H-porphyrin
  • ethyl 4-{12-[4-(ethoxycarbonyl)phenyl]-7,17-bis({3-[12-(1-methyl-1H-imidazol-2-yl)-7,17-bis[3-(prop-2-en-1-yloxy)propyl]-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]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}benzoate