Chemical Compound

12-[4-(2-{7,17-bis[3,5-bis(octyloxy)phenyl]-12-(2-{4-[7,12,17-tris(3,5-di-tert-butylphenyl)-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}ethynyl)-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}ethynyl)phenyl]-2,7,17-tris(3,5-di-tert-butylphenyl)-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-undecaene

12-[4-(2-{7,17-bis[3,5-bis(octyloxy)phenyl]-12-(2-{4-[7,12,17-tris(3,5-di-tert-butylphenyl)-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}ethynyl)-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}ethynyl)phenyl]-2,7,17-tris(3,5-di-tert-butylphenyl)-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-undecaene 结构式
Primary record

12-[4-(2-{7,17-bis[3,5-bis(octyloxy)phenyl]-12-(2-{4-[7,12,17-tris(3,5-di-tert-butylphenyl)-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}ethynyl)-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}ethynyl)phenyl]-2,7,17-tris(3,5-di-tert-butylphenyl)-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-undecaene

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
100918237
SMILES
CCCCCCCCOC1=CC(=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C#CC7=CC=C(C=C7)C8=C9C=CC(=C(C1=NC(=C(C2=CC=C(N2)C(=C2C=CC8=N2)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)C=C1)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)N9)C1=CC(=CC(=C1)OCCCCCCCC)OCCCCCCCC)C=C4)C#CC1=CC=C(C=C1)C1=C2C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C5C=CC1=N5)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C=C4)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)N2)N3)OCCCCCCCC
Canonical SMILES
CCCCCCCCOc1cc(OCCCCCCCC)cc(-c2c3nc(c(C#Cc4ccc(-c5c6nc(c(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7ccc([nH]7)c(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7nc(c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)c8ccc5[nH]8)C=C7)C=C6)cc4)c4ccc([nH]4)c(-c4cc(OCCCCCCCC)cc(OCCCCCCCC)c4)c4nc(c(C#Cc5ccc(-c6c7nc(c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)c8ccc([nH]8)c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)c8nc(c(-c9cc(C(C)(C)C)cc(C(C)(C)C)c9)c9ccc6[nH]9)C=C8)C=C7)cc5)c5ccc2[nH]5)C=C4)C=C3)c1

名称与同义词

  • J1.011.521C
  • 12-[4-(2-{7,17-bis[3,5-bis(octyloxy)phenyl]-12-(2-{4-[7,12,17-tris(3,5-di-tert-butylphenyl)-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}ethynyl)-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}ethynyl)phenyl]-2,7,17-tris(3,5-di-tert-butylphenyl)-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-undecaene
  • 5,15-Bis[3,5-bis(octyloxy)phenyl]-10,20-bis[4-[10,15,20-tris(3,5-di-tert-butylphenyl)-21H,23H-porphyrin-5-yl]phenylethynyl]-21H,23H-porphyrin
  • 5,15-Bis[3,5-bis(octyloxy)phenyl]-10,20-bis[4-[5,10,15-tris(3,5-di-tert-butylphenyl)-21H,23H-porphyrin-20-yl]phenylethynyl]-21H,23H-porphyrin