[2-[3-[3-[5-(2-acetyloxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl] acetate;1-[2-[3-[3-[5-(2-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;1-[4-[3-[3-[5-(4-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;[4-[3-[3-[5-(4-benzoylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]-phenylmethanone;butyl 2-[3-[3-[5-(2-butoxycarbonylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzoate;2-[3-[3-[5-(2-cyanophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzonitrile;2-[3-[3-[5-(2-formylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzaldehyde;N-methyl-2-[3-[3-[5-[2-(methylcarbamoyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzamide;molecular fluorine;5-[2-(phenoxymethyl)phenyl]-3-[3-[5-[2-(phenoxymethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;hydrofluoride

C288H231F65N66O20 — CID 158146861

About [2-[3-[3-[5-(2-acetyloxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl] acetate;1-[2-[3-[3-[5-(2-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;1-[4-[3-[3-[5-(4-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;[4-[3-[3-[5-(4-benzoylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]-phenylmethanone;butyl 2-[3-[3-[5-(2-butoxycarbonylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzoate;2-[3-[3-[5-(2-cyanophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzonitrile;2-[3-[3-[5-(2-formylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzaldehyde;N-methyl-2-[3-[3-[5-[2-(methylcarbamoyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzamide;molecular fluorine;5-[2-(phenoxymethyl)phenyl]-3-[3-[5-[2-(phenoxymethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;hydrofluoride

[2-[3-[3-[5-(2-acetyloxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl] acetate;1-[2-[3-[3-[5-(2-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;1-[4-[3-[3-[5-(4-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;[4-[3-[3-[5-(4-benzoylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]-phenylmethanone;butyl 2-[3-[3-[5-(2-butoxycarbonylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzoate;2-[3-[3-[5-(2-cyanophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzonitrile;2-[3-[3-[5-(2-formylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzaldehyde;N-methyl-2-[3-[3-[5-[2-(methylcarbamoyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzamide;molecular fluorine;5-[2-(phenoxymethyl)phenyl]-3-[3-[5-[2-(phenoxymethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;hydrofluoride (PubChem CID 158146861) has the molecular formula C288H231F65N66O20 and a molecular weight of 6171.33 g/mol. Its IUPAC name is [2-[3-[3-[5-(2-acetyloxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl] acetate;1-[2-[3-[3-[5-(2-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;1-[4-[3-[3-[5-(4-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;[4-[3-[3-[5-(4-benzoylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]-phenylmethanone;butyl 2-[3-[3-[5-(2-butoxycarbonylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzoate;2-[3-[3-[5-(2-cyanophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzonitrile;2-[3-[3-[5-(2-formylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzaldehyde;N-methyl-2-[3-[3-[5-[2-(methylcarbamoyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzamide;molecular fluorine;5-[2-(phenoxymethyl)phenyl]-3-[3-[5-[2-(phenoxymethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;hydrofluoride.

Molecular Properties

• Compound Name: [2-[3-[3-[5-(2-acetyloxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl] acetate;1-[2-[3-[3-[5-(2-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;1-[4-[3-[3-[5-(4-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;[4-[3-[3-[5-(4-benzoylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]-phenylmethanone;butyl 2-[3-[3-[5-(2-butoxycarbonylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzoate;2-[3-[3-[5-(2-cyanophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzonitrile;2-[3-[3-[5-(2-formylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzaldehyde;N-methyl-2-[3-[3-[5-[2-(methylcarbamoyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzamide;molecular fluorine;5-[2-(phenoxymethyl)phenyl]-3-[3-[5-[2-(phenoxymethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;hydrofluoride
• PubChem CID: 158146861
• Molecular Formula: C288H231F65N66O20
• Molecular Weight: 6171.33 g/mol
• Exact Mass: 6167.80
• IUPAC Name: [2-[3-[3-[5-(2-acetyloxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl] acetate;1-[2-[3-[3-[5-(2-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;1-[4-[3-[3-[5-(4-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;[4-[3-[3-[5-(4-benzoylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]-phenylmethanone;butyl 2-[3-[3-[5-(2-butoxycarbonylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzoate;2-[3-[3-[5-(2-cyanophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzonitrile;2-[3-[3-[5-(2-formylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzaldehyde;N-methyl-2-[3-[3-[5-[2-(methylcarbamoyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzamide;molecular fluorine;5-[2-(phenoxymethyl)phenyl]-3-[3-[5-[2-(phenoxymethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;hydrofluoride
• SMILES: CC(=O)Oc1ccccc1-c1nc(-c2cccc(-c3n[nH]c(-c4ccccc4OC(C)=O)n3)c2)n[nH]1.CC(=O)c1ccc(-c2nc(-c3cccc(-c4n[nH]c(-c5ccc(C(C)=O)cc5)n4)c3)n[nH]2)cc1.CC(=O)c1ccccc1-c1nc(-c2cccc(-c3n[nH]c(-c4ccccc4C(C)=O)n3)c2)n[nH]1.CCCCOC(=O)c1ccccc1-c1nc(-c2cccc(-c3n[nH]c(-c4ccccc4C(=O)OCCCC)n3)c2)n[nH]1.CNC(=O)c1ccccc1-c1nc(-c2cccc(-c3n[nH]c(-c4ccccc4C(=O)NC)n3)c2)n[nH]1.F.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.N#Cc1ccccc1-c1nc(-c2cccc(-c3n[nH]c(-c4ccccc4C#N)n3)c2)n[nH]1.O=C(c1ccccc1)c1ccc(-c2nc(-c3cccc(-c4n[nH]c(-c5ccc(C(=O)c6ccccc6)cc5)n4)c3)n[nH]2)cc1.O=Cc1ccccc1-c1nc(-c2cccc(-c3n[nH]c(-c4ccccc4C=O)n3)c2)n[nH]1.c1cc(-c2n[nH]c(-c3ccc(CN4CCCC4)cc3)n2)cc(-c2n[nH]c(-c3ccc(CN4CCCC4)cc3)n2)c1.c1ccc(OCc2ccccc2-c2nc(-c3cccc(-c4n[nH]c(-c5ccccc5COc5ccccc5)n4)c3)n[nH]2)cc1
• InChI: InChI=1S/C36H28N6O2.C36H24N6O2.C32H34N8.C32H32N6O4.C26H22N8O2.C26H20N6O4.2C26H20N6O2.C24H14N8.C24H16N6O2.32F2.FH/c1-3-16-29(17-4-1)43-23-27-12-7-9-20-31(27)35-37-33(39-41-35)25-14-11-15-26(22-25)34-38-36(42-40-34)32-21-10-8-13-28(32)24-44-30-18-5-2-6-19-30;43-31(23-8-3-1-4-9-23)25-14-18-27(19-15-25)33-37-35(41-39-33)29-12-7-13-30(22-29)36-38-34(40-42-36)28-20-16-26(17-21-28)32(44)24-10-5-2-6-11-24;1-2-17-39(16-1)21-23-8-12-25(13-9-23)29-33-31(37-35-29)27-6-5-7-28(20-27)32-34-30(36-38-32)26-14-10-24(11-15-26)22-40-18-3-4-19-40;1-3-5-18-41-31(39)25-16-9-7-14-23(25)29-33-27(35-37-29)21-12-11-13-22(20-21)28-34-30(38-36-28)24-15-8-10-17-26(24)32(40)42-19-6-4-2;1-27-25(35)19-12-5-3-10-17(19)23-29-21(31-33-23)15-8-7-9-16(14-15)22-30-24(34-32-22)18-11-4-6-13-20(18)26(36)28-2;1-15(33)35-21-12-5-3-10-19(21)25-27-23(29-31-25)17-8-7-9-18(14-17)24-28-26(32-30-24)20-11-4-6-13-22(20)36-16(2)34;1-15(33)19-10-3-5-12-21(19)25-27-23(29-31-25)17-8-7-9-18(14-17)24-28-26(32-30-24)22-13-6-4-11-20(22)16(2)34;1-15(33)17-6-10-19(11-7-17)23-27-25(31-29-23)21-4-3-5-22(14-21)26-28-24(30-32-26)20-12-8-18(9-13-20)16(2)34;25-13-17-6-1-3-10-19(17)23-27-21(29-31-23)15-8-5-9-16(12-15)22-28-24(32-30-22)20-11-4-2-7-18(20)14-26;31-13-17-6-1-3-10-19(17)23-25-21(27-29-23)15-8-5-9-16(12-15)22-26-24(30-28-22)20-11-4-2-7-18(20)14-32;32*1-2;/h1-22H,23-24H2,(H,37,39,41)(H,38,40,42);1-22H,(H,37,39,41)(H,38,40,42);5-15,20H,1-4,16-19,21-22H2,(H,33,35,37)(H,34,36,38);7-17,20H,3-6,18-19H2,1-2H3,(H,33,35,37)(H,34,36,38);3-14H,1-2H3,(H,27,35)(H,28,36)(H,29,31,33)(H,30,32,34);3-14H,1-2H3,(H,27,29,31)(H,28,30,32);2*3-14H,1-2H3,(H,27,29,31)(H,28,30,32);1-12H,(H,27,29,31)(H,28,30,32);1-14H,(H,25,27,29)(H,26,28,30);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1H
• InChIKey: FUPXXMHWWQXWSU-UHFFFAOYSA-N
• XLogP: 80.43
• TPSA: 1203.88 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 64
• Rotatable Bonds: 72
• Heavy Atoms: 439
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	6171.33
LogP ≤ 5	80.43
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	64

Frequently Asked Questions

What is the IUPAC name of [2-[3-[3-[5-(2-acetyloxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl] acetate;1-[2-[3-[3-[5-(2-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;1-[4-[3-[3-[5-(4-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;[4-[3-[3-[5-(4-benzoylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]-phenylmethanone;butyl 2-[3-[3-[5-(2-butoxycarbonylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzoate;2-[3-[3-[5-(2-cyanophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzonitrile;2-[3-[3-[5-(2-formylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzaldehyde;N-methyl-2-[3-[3-[5-[2-(methylcarbamoyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzamide;molecular fluorine;5-[2-(phenoxymethyl)phenyl]-3-[3-[5-[2-(phenoxymethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;hydrofluoride?

The IUPAC name of [2-[3-[3-[5-(2-acetyloxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl] acetate;1-[2-[3-[3-[5-(2-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;1-[4-[3-[3-[5-(4-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;[4-[3-[3-[5-(4-benzoylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]-phenylmethanone;butyl 2-[3-[3-[5-(2-butoxycarbonylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzoate;2-[3-[3-[5-(2-cyanophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzonitrile;2-[3-[3-[5-(2-formylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzaldehyde;N-methyl-2-[3-[3-[5-[2-(methylcarbamoyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzamide;molecular fluorine;5-[2-(phenoxymethyl)phenyl]-3-[3-[5-[2-(phenoxymethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;hydrofluoride (CID 158146861) is [2-[3-[3-[5-(2-acetyloxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl] acetate;1-[2-[3-[3-[5-(2-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;1-[4-[3-[3-[5-(4-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;[4-[3-[3-[5-(4-benzoylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]-phenylmethanone;butyl 2-[3-[3-[5-(2-butoxycarbonylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzoate;2-[3-[3-[5-(2-cyanophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzonitrile;2-[3-[3-[5-(2-formylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzaldehyde;N-methyl-2-[3-[3-[5-[2-(methylcarbamoyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzamide;molecular fluorine;5-[2-(phenoxymethyl)phenyl]-3-[3-[5-[2-(phenoxymethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;hydrofluoride.

What is the SMILES notation for [2-[3-[3-[5-(2-acetyloxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl] acetate;1-[2-[3-[3-[5-(2-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;1-[4-[3-[3-[5-(4-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;[4-[3-[3-[5-(4-benzoylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]-phenylmethanone;butyl 2-[3-[3-[5-(2-butoxycarbonylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzoate;2-[3-[3-[5-(2-cyanophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzonitrile;2-[3-[3-[5-(2-formylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzaldehyde;N-methyl-2-[3-[3-[5-[2-(methylcarbamoyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzamide;molecular fluorine;5-[2-(phenoxymethyl)phenyl]-3-[3-[5-[2-(phenoxymethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;hydrofluoride?

The canonical SMILES for [2-[3-[3-[5-(2-acetyloxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl] acetate;1-[2-[3-[3-[5-(2-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;1-[4-[3-[3-[5-(4-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;[4-[3-[3-[5-(4-benzoylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]-phenylmethanone;butyl 2-[3-[3-[5-(2-butoxycarbonylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzoate;2-[3-[3-[5-(2-cyanophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzonitrile;2-[3-[3-[5-(2-formylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzaldehyde;N-methyl-2-[3-[3-[5-[2-(methylcarbamoyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzamide;molecular fluorine;5-[2-(phenoxymethyl)phenyl]-3-[3-[5-[2-(phenoxymethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;hydrofluoride is CC(=O)Oc1ccccc1-c1nc(-c2cccc(-c3n[nH]c(-c4ccccc4OC(C)=O)n3)c2)n[nH]1.CC(=O)c1ccc(-c2nc(-c3cccc(-c4n[nH]c(-c5ccc(C(C)=O)cc5)n4)c3)n[nH]2)cc1.CC(=O)c1ccccc1-c1nc(-c2cccc(-c3n[nH]c(-c4ccccc4C(C)=O)n3)c2)n[nH]1.CCCCOC(=O)c1ccccc1-c1nc(-c2cccc(-c3n[nH]c(-c4ccccc4C(=O)OCCCC)n3)c2)n[nH]1.CNC(=O)c1ccccc1-c1nc(-c2cccc(-c3n[nH]c(-c4ccccc4C(=O)NC)n3)c2)n[nH]1.F.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.N#Cc1ccccc1-c1nc(-c2cccc(-c3n[nH]c(-c4ccccc4C#N)n3)c2)n[nH]1.O=C(c1ccccc1)c1ccc(-c2nc(-c3cccc(-c4n[nH]c(-c5ccc(C(=O)c6ccccc6)cc5)n4)c3)n[nH]2)cc1.O=Cc1ccccc1-c1nc(-c2cccc(-c3n[nH]c(-c4ccccc4C=O)n3)c2)n[nH]1.c1cc(-c2n[nH]c(-c3ccc(CN4CCCC4)cc3)n2)cc(-c2n[nH]c(-c3ccc(CN4CCCC4)cc3)n2)c1.c1ccc(OCc2ccccc2-c2nc(-c3cccc(-c4n[nH]c(-c5ccccc5COc5ccccc5)n4)c3)n[nH]2)cc1.

What is the InChIKey of [2-[3-[3-[5-(2-acetyloxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl] acetate;1-[2-[3-[3-[5-(2-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;1-[4-[3-[3-[5-(4-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;[4-[3-[3-[5-(4-benzoylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]-phenylmethanone;butyl 2-[3-[3-[5-(2-butoxycarbonylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzoate;2-[3-[3-[5-(2-cyanophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzonitrile;2-[3-[3-[5-(2-formylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzaldehyde;N-methyl-2-[3-[3-[5-[2-(methylcarbamoyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzamide;molecular fluorine;5-[2-(phenoxymethyl)phenyl]-3-[3-[5-[2-(phenoxymethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;hydrofluoride?

The InChIKey is FUPXXMHWWQXWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N6O2.C36H24N6O2.C32H34N8.C32H32N6O4.C26H22N8O2.C26H20N6O4.2C26H20N6O2.C24H14N8.C24H16N6O2.32F2.FH/c1-3-16-29(17-4-1)43-23-27-12-7-9-20-31(27)35-37-33(39-41-35)25-14-11-15-26(22-25)34-38-36(42-40-34)32-21-10-8-13-28(32)24-44-30-18-5-2-6-19-30;43-31(23-8-3-1-4-9-23)25-14-18-27(19-15-25)33-37-35(41-39-33)29-12-7-13-30(22-29)36-38-34(40-42-36)28-20-16-26(17-21-28)32(44)24-10-5-2-6-11-24;1-2-17-39(16-1)21-23-8-12-25(13-9-23)29-33-31(37-35-29)27-6-5-7-28(20-27)32-34-30(36-38-32)26-14-10-24(11-15-26)22-40-18-3-4-19-40;1-3-5-18-41-31(39)25-16-9-7-14-23(25)29-33-27(35-37-29)21-12-11-13-22(20-21)28-34-30(38-36-28)24-15-8-10-17-26(24)32(40)42-19-6-4-2;1-27-25(35)19-12-5-3-10-17(19)23-29-21(31-33-23)15-8-7-9-16(14-15)22-30-24(34-32-22)18-11-4-6-13-20(18)26(36)28-2;1-15(33)35-21-12-5-3-10-19(21)25-27-23(29-31-25)17-8-7-9-18(14-17)24-28-26(32-30-24)20-11-4-6-13-22(20)36-16(2)34;1-15(33)19-10-3-5-12-21(19)25-27-23(29-31-25)17-8-7-9-18(14-17)24-28-26(32-30-24)22-13-6-4-11-20(22)16(2)34;1-15(33)17-6-10-19(11-7-17)23-27-25(31-29-23)21-4-3-5-22(14-21)26-28-24(30-32-26)20-12-8-18(9-13-20)16(2)34;25-13-17-6-1-3-10-19(17)23-27-21(29-31-23)15-8-5-9-16(12-15)22-28-24(32-30-22)20-11-4-2-7-18(20)14-26;31-13-17-6-1-3-10-19(17)23-25-21(27-29-23)15-8-5-9-16(12-15)22-26-24(30-28-22)20-11-4-2-7-18(20)14-32;32*1-2;/h1-22H,23-24H2,(H,37,39,41)(H,38,40,42);1-22H,(H,37,39,41)(H,38,40,42);5-15,20H,1-4,16-19,21-22H2,(H,33,35,37)(H,34,36,38);7-17,20H,3-6,18-19H2,1-2H3,(H,33,35,37)(H,34,36,38);3-14H,1-2H3,(H,27,35)(H,28,36)(H,29,31,33)(H,30,32,34);3-14H,1-2H3,(H,27,29,31)(H,28,30,32);2*3-14H,1-2H3,(H,27,29,31)(H,28,30,32);1-12H,(H,27,29,31)(H,28,30,32);1-14H,(H,25,27,29)(H,26,28,30);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1H.

What are the key properties of [2-[3-[3-[5-(2-acetyloxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl] acetate;1-[2-[3-[3-[5-(2-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;1-[4-[3-[3-[5-(4-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;[4-[3-[3-[5-(4-benzoylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]-phenylmethanone;butyl 2-[3-[3-[5-(2-butoxycarbonylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzoate;2-[3-[3-[5-(2-cyanophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzonitrile;2-[3-[3-[5-(2-formylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzaldehyde;N-methyl-2-[3-[3-[5-[2-(methylcarbamoyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzamide;molecular fluorine;5-[2-(phenoxymethyl)phenyl]-3-[3-[5-[2-(phenoxymethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;hydrofluoride?

[2-[3-[3-[5-(2-acetyloxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl] acetate;1-[2-[3-[3-[5-(2-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;1-[4-[3-[3-[5-(4-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;[4-[3-[3-[5-(4-benzoylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]-phenylmethanone;butyl 2-[3-[3-[5-(2-butoxycarbonylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzoate;2-[3-[3-[5-(2-cyanophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzonitrile;2-[3-[3-[5-(2-formylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzaldehyde;N-methyl-2-[3-[3-[5-[2-(methylcarbamoyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzamide;molecular fluorine;5-[2-(phenoxymethyl)phenyl]-3-[3-[5-[2-(phenoxymethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;hydrofluoride has a molecular weight of 6171.33 g/mol, XLogP of 80.43, 72 rotatable bonds, 22 hydrogen bond donors, and 64 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-[3-[5-(2-acetyloxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl] acetate;1-[2-[3-[3-[5-(2-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;1-[4-[3-[3-[5-(4-acetylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanone;[4-[3-[3-[5-(4-benzoylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]-phenylmethanone;butyl 2-[3-[3-[5-(2-butoxycarbonylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzoate;2-[3-[3-[5-(2-cyanophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzonitrile;2-[3-[3-[5-(2-formylphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzaldehyde;N-methyl-2-[3-[3-[5-[2-(methylcarbamoyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]benzamide;molecular fluorine;5-[2-(phenoxymethyl)phenyl]-3-[3-[5-[2-(phenoxymethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;5-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-[3-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole;hydrofluoride is sourced from PubChem (CID 158146861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).