Chemical Compound

methyl 4-({[4-(2-{7,17-bis[3,5-bis(hexyloxy)phenyl]-12-[2-(pyridin-4-yl)ethynyl]-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}ethynyl)phenyl](methyl)amino}methyl)benzoate

methyl 4-({[4-(2-{7,17-bis[3,5-bis(hexyloxy)phenyl]-12-[2-(pyridin-4-yl)ethynyl]-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}ethynyl)phenyl](methyl)amino}methyl)benzoate 结构式
Primary record

methyl 4-({[4-(2-{7,17-bis[3,5-bis(hexyloxy)phenyl]-12-[2-(pyridin-4-yl)ethynyl]-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}ethynyl)phenyl](methyl)amino}methyl)benzoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
136832716
SMILES
CCCCCCOC1=CC(=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C#CC7=CC=NC=C7)C8=CC(=CC(=C8)OCCCCCC)OCCCCCC)C=C4)C#CC9=CC=C(C=C9)N(C)CC1=CC=C(C=C1)C(=O)OC)N3)OCCCCCC
Canonical SMILES
CCCCCCOc1cc(OCCCCCC)cc(-c2c3nc(c(C#Cc4ccc(N(C)Cc5ccc(C(=O)OC)cc5)cc4)c4ccc([nH]4)c(-c4cc(OCCCCCC)cc(OCCCCCC)c4)c4nc(c(C#Cc5ccncc5)c5ccc2[nH]5)C=C4)C=C3)c1

名称与同义词

  • J2.169.788E
  • 4-[[[4-[[10,20-Bis[3,5-bis(hexyloxy)phenyl]-15-(4-pyridinylethynyl)-21H,23H-porphyrin-5-yl]ethynyl]phenyl](methyl)amino]methyl]benzoic acid methyl ester
  • methyl 4-({[4-(2-{7,17-bis[3,5-bis(hexyloxy)phenyl]-12-[2-(pyridin-4-yl)ethynyl]-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}ethynyl)phenyl](methyl)amino}methyl)benzoate