Chemical Compound

J3.466.753E

J3.466.753E chemical structure
Primary Record

J3.466.753E

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
122214592
SMILES
CCCCCCC1=C(C2=C3C4=CC=CC(=C4)C#CC#CC5=CC(=CC=C5)C6=C7C(=C(C(=CC8=NC(=C(C9=CC=CC(=C9)C#CC#CC4=CC(=CC=C4)C4=C5C(=C(C(=N5)C=C5C(=C(C(=C(C9=CC=CC(=C9)C#CC#CC9=CC(=CC=C9)C(=C9C(=C(C(=N9)C=C1N2)CCCCCC)C)C1=C(C(=C(N1)C=C1C(=C(C3=N1)C)CCC(=O)OC)CCC(=O)OC)C)C1=NC(=CC2=C(C(=C4N2)C)CCC(=O)OC)C(=C1C)CCC(=O)OC)N5)C)CCCCCC)CCCCCC)C)C1=C(C(=C(N1)C=C1C(=C(C6=N1)C)CCC(=O)OC)CCC(=O)OC)C)C(=C8CCCCCC)C)N7)CCCCCC)C)C
Canonical SMILES
CCCCCCC1=C(C)c2nc1cc1[nH]c(c(C)c1CCCCCC)c1c3nc(cc4[nH]c(c(C)c4CCC(=O)OC)c2-c2cccc(c2)C#CC#Cc2cccc(c2)-c2c4nc(cc5[nH]c(c(C)c5CCC(=O)OC)c(c5nc(cc6[nH]c2c(C)c6CCCCCC)C(CCCCCC)=C5C)-c2cccc(c2)C#CC#Cc2cccc(c2)-c2c5nc(cc6[nH]c(c(C)c6CCCCCC)c(c6nc(cc7[nH]c2c(C)c7CCC(=O)OC)C(CCC(=O)OC)=C6C)-c2cccc(c2)C#CC#Cc2cccc-1c2)C(CCCCCC)=C5C)C(CCC(=O)OC)=C4C)C(CCC(=O)OC)=C3C

Names & Synonyms

  • J3.466.753E
  • 5,15-[1,3-Butadiyne-1,4-diylbis[3,1-phenylene[2,18-bis(3-methoxy-3-oxopropyl)-8,12-dihexyl-3,7,13,17-tetramethyl-21H,23H-porphyrin-5,15-diyl](3,1-phenylene)(1,3-butadiyne-4,1-diyl)(3,1-phenylene)]]-8,12-dihexyl-3,7,13,17-tetramethyl-21H,23H-porphyrin-2,18-dipropanoic acid dimethyl ester
  • methyl 3-[78,82,93,97,106,110-hexahexyl-23,44,48,69,73-pentakis(3-methoxy-3-oxopropyl)-18,24,43,49,68,74,77,83,92,98,105,111-dodecamethyl-85,86,87,88,100,101,113,114,117,118,119,120-dodecaazadocosacyclo[64.9.9.916,26.941,51.12,6.111,15.117,20.122,25.127,31.136,40.142,45.147,50.152,56.161,65.167,70.172,75.176,79.181,84.191,94.196,99.1104,107.1109,112]120nea-1(75),2,4,6(116),11,13,15(115),16(112),17(114),18,20,22,24,26(104),27,29,31(103),36,38,40(102),41,43,45,47(100),48,50,52,54,56(90),61,63,65(89),66,68,70,72(87),73,76,78,80,82,84,91,93,95,97,99(119),105,107(118),108,110-henpentacontaen-7,9,32,34,57,59-hexayn-19-yl]propanoate