Chemical Compound

1-({[4-(4-{12-[4-(12-{4-[12-(4-{4-[(acetylsulfanyl)methyl]phenyl}buta-1,3-diyn-1-yl)-7,17-bis[3,5-bis(2-methylpropoxy)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]buta-1,3-diyn-1-yl}-7,17-bis[3,5-bis(2-methylpropoxy)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)buta-1,3-diyn-1-yl]-7,17-bis[3,5-bis(2-methylpropoxy)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}buta-1,3-diyn-1-yl)phenyl]methyl}sulfanyl)ethan-1-one

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1-({[4-(4-{12-[4-(12-{4-[12-(4-{4-[(acetylsulfanyl)methyl]phenyl}buta-1,3-diyn-1-yl)-7,17-bis[3,5-bis(2-methylpropoxy)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]buta-1,3-diyn-1-yl}-7,17-bis[3,5-bis(2-methylpropoxy)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)buta-1,3-diyn-1-yl]-7,17-bis[3,5-bis(2-methylpropoxy)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}buta-1,3-diyn-1-yl)phenyl]methyl}sulfanyl)ethan-1-one 结构式
Primary record

1-({[4-(4-{12-[4-(12-{4-[12-(4-{4-[(acetylsulfanyl)methyl]phenyl}buta-1,3-diyn-1-yl)-7,17-bis[3,5-bis(2-methylpropoxy)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]buta-1,3-diyn-1-yl}-7,17-bis[3,5-bis(2-methylpropoxy)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)buta-1,3-diyn-1-yl]-7,17-bis[3,5-bis(2-methylpropoxy)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}buta-1,3-diyn-1-yl)phenyl]methyl}sulfanyl)ethan-1-one

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
102284844
SMILES
CC(C)COC1=CC(=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C#CC#CC7=C8C=CC(=C(C9=NC(=C(C1=CC=C(N1)C(=C1C=CC7=N1)C1=CC(=CC(=C1)OCC(C)C)OCC(C)C)C#CC#CC1=C2C=CC(=N2)C(=C2C=CC(=C(C5=NC(=C(C6=CC=C1N6)C1=CC(=CC(=C1)OCC(C)C)OCC(C)C)C=C5)C#CC#CC1=CC=C(C=C1)CSC(=O)C)N2)C1=CC(=CC(=C1)OCC(C)C)OCC(C)C)C=C9)C1=CC(=CC(=C1)OCC(C)C)OCC(C)C)N8)C1=CC(=CC(=C1)OCC(C)C)OCC(C)C)C=C4)C#CC#CC1=CC=C(C=C1)CSC(=O)C)N3)OCC(C)C
Canonical SMILES
CC(=O)SCc1ccc(C#CC#Cc2c3nc(c(-c4cc(OCC(C)C)cc(OCC(C)C)c4)c4ccc([nH]4)c(C#CC#Cc4c5nc(c(-c6cc(OCC(C)C)cc(OCC(C)C)c6)c6ccc([nH]6)c(C#CC#Cc6c7nc(c(-c8cc(OCC(C)C)cc(OCC(C)C)c8)c8ccc([nH]8)c(C#CC#Cc8ccc(CSC(C)=O)cc8)c8nc(c(-c9cc(OCC(C)C)cc(OCC(C)C)c9)c9ccc6[nH]9)C=C8)C=C7)c6nc(c(-c7cc(OCC(C)C)cc(OCC(C)C)c7)c7ccc4[nH]7)C=C6)C=C5)c4nc(c(-c5cc(OCC(C)C)cc(OCC(C)C)c5)c5ccc2[nH]5)C=C4)C=C3)cc1

名称与同义词

  • J2.698.631A
  • 1-({[4-(4-{12-[4-(12-{4-[12-(4-{4-[(acetylsulfanyl)methyl]phenyl}buta-1,3-diyn-1-yl)-7,17-bis[3,5-bis(2-methylpropoxy)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]buta-1,3-diyn-1-yl}-7,17-bis[3,5-bis(2-methylpropoxy)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)buta-1,3-diyn-1-yl]-7,17-bis[3,5-bis(2-methylpropoxy)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}buta-1,3-diyn-1-yl)phenyl]methyl}sulfanyl)ethan-1-one
  • 10-[4-[5,15-Bis[3,5-bis(2-methylpropoxy)phenyl]-10-[4-[4-(acetylthiomethyl)phenyl]-1,3-butadiynyl]-21H,23H-porphyrin-20-yl]-1,3-butadiynyl]-20-[4-[5,15-bis[3,5-bis(2-methylpropoxy)phenyl]-10-[4-[4-(acetylthiomethyl)phenyl]-1,3-butadiynyl]-21H,23H-porphyrin-20-yl]-1,3-butadiynyl]-5,15-bis[3,5-bis(2-methylpropoxy)phenyl]-21H,23H-porphyrin