Chemical Compound

methyl 4-(2-{2-methoxy-14-[4-(12-methoxy-14-{2-[4-(methoxycarbonyl)phenyl]ethynyl}-9,9,19,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,11(23),12,14,16,18(21)-nonaen-4-yl)buta-1,3-diyn-1-yl]-9,9,19,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,11(23),12,14,16,18(21)-nonaen-4-yl}ethynyl)benzoate

methyl 4-(2-{2-methoxy-14-[4-(12-methoxy-14-{2-[4-(methoxycarbonyl)phenyl]ethynyl}-9,9,19,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,11(23),12,14,16,18(21)-nonaen-4-yl)buta-1,3-diyn-1-yl]-9,9,19,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,11(23),12,14,16,18(21)-nonaen-4-yl}ethynyl)benzoate 结构式
Primary record

methyl 4-(2-{2-methoxy-14-[4-(12-methoxy-14-{2-[4-(methoxycarbonyl)phenyl]ethynyl}-9,9,19,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,11(23),12,14,16,18(21)-nonaen-4-yl)buta-1,3-diyn-1-yl]-9,9,19,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,11(23),12,14,16,18(21)-nonaen-4-yl}ethynyl)benzoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101907735
SMILES
CC1(CC2=NC1=CC3=CC(=C(N3)C=C4CC(C(=N4)C=C5C=C(C(=C2OC)N5)C#CC6=CC=C(C=C6)C(=O)OC)(C)C)C#CC#CC7=C8C=C9CC(C(=N9)C=C1C=C(C(=C(C2=NC(=CC(=C7)N8)C(C2)(C)C)OC)N1)C#CC1=CC=C(C=C1)C(=O)OC)(C)C)C
Canonical SMILES
COC(=O)c1ccc(C#Cc2cc3cc4nc(cc5[nH]c(cc6nc(c(OC)c2[nH]3)CC6(C)C)cc5C#CC#Cc2cc3cc5nc(c(OC)c6[nH]c(cc7nc(cc2[nH]3)CC7(C)C)cc6C#Cc2ccc(C(=O)OC)cc2)CC5(C)C)CC4(C)C)cc1

名称与同义词

  • J3.384.870F
  • 13,13 -(Ethynyleneethynylene)bis(3-(4-(methoxycarbonyl)phenylethynyl)-5-methoxy-8,8,18,18-tetramethyl-7,8,17,18-tetrahydro-21H,23H-porphyrin)
  • methyl 4-(2-{2-methoxy-14-[4-(12-methoxy-14-{2-[4-(methoxycarbonyl)phenyl]ethynyl}-9,9,19,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,11(23),12,14,16,18(21)-nonaen-4-yl)buta-1,3-diyn-1-yl]-9,9,19,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,11(23),12,14,16,18(21)-nonaen-4-yl}ethynyl)benzoate