1-(1-benzothiophen-3-yl)-4-(2-chlorophenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-(4-methylphenyl)butane-1,4-dione;tris(1-(1-benzothiophen-3-yl)-4-(3-methylphenyl)butane-1,4-dione);1-(1-benzothiophen-3-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-phenylbutane-1,4-dione;1-(5-bromo-1-benzofuran-2-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-hydroxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)butane-1,4-dione;bis(1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methylphenyl)butane-1,4-dione;methane;1-(1-methylindol-2-yl)-4-phenylbutane-1,4-dione

C334H293BrClN3O55S8 — CID 160672031

About 1-(1-benzothiophen-3-yl)-4-(2-chlorophenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-(4-methylphenyl)butane-1,4-dione;tris(1-(1-benzothiophen-3-yl)-4-(3-methylphenyl)butane-1,4-dione);1-(1-benzothiophen-3-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-phenylbutane-1,4-dione;1-(5-bromo-1-benzofuran-2-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-hydroxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)butane-1,4-dione;bis(1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methylphenyl)butane-1,4-dione;methane;1-(1-methylindol-2-yl)-4-phenylbutane-1,4-dione

1-(1-benzothiophen-3-yl)-4-(2-chlorophenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-(4-methylphenyl)butane-1,4-dione;tris(1-(1-benzothiophen-3-yl)-4-(3-methylphenyl)butane-1,4-dione);1-(1-benzothiophen-3-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-phenylbutane-1,4-dione;1-(5-bromo-1-benzofuran-2-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-hydroxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)butane-1,4-dione;bis(1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methylphenyl)butane-1,4-dione;methane;1-(1-methylindol-2-yl)-4-phenylbutane-1,4-dione (PubChem CID 160672031) has the molecular formula C334H293BrClN3O55S8 and a molecular weight of 5600.88 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-4-(2-chlorophenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-(4-methylphenyl)butane-1,4-dione;tris(1-(1-benzothiophen-3-yl)-4-(3-methylphenyl)butane-1,4-dione);1-(1-benzothiophen-3-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-phenylbutane-1,4-dione;1-(5-bromo-1-benzofuran-2-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-hydroxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)butane-1,4-dione;bis(1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methylphenyl)butane-1,4-dione;methane;1-(1-methylindol-2-yl)-4-phenylbutane-1,4-dione.

Molecular Properties

• Compound Name: 1-(1-benzothiophen-3-yl)-4-(2-chlorophenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-(4-methylphenyl)butane-1,4-dione;tris(1-(1-benzothiophen-3-yl)-4-(3-methylphenyl)butane-1,4-dione);1-(1-benzothiophen-3-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-phenylbutane-1,4-dione;1-(5-bromo-1-benzofuran-2-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-hydroxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)butane-1,4-dione;bis(1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methylphenyl)butane-1,4-dione;methane;1-(1-methylindol-2-yl)-4-phenylbutane-1,4-dione
• PubChem CID: 160672031
• Molecular Formula: C334H293BrClN3O55S8
• Molecular Weight: 5600.88 g/mol
• Exact Mass: 5594.69
• IUPAC Name: 1-(1-benzothiophen-3-yl)-4-(2-chlorophenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-(4-methylphenyl)butane-1,4-dione;tris(1-(1-benzothiophen-3-yl)-4-(3-methylphenyl)butane-1,4-dione);1-(1-benzothiophen-3-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-phenylbutane-1,4-dione;1-(5-bromo-1-benzofuran-2-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-hydroxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)butane-1,4-dione;bis(1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methylphenyl)butane-1,4-dione;methane;1-(1-methylindol-2-yl)-4-phenylbutane-1,4-dione
• SMILES: C.COc1ccc(C(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1.Cc1ccc(C(=O)CCC(=O)c2c[nH]c3ccccc23)cc1.Cc1ccc(C(=O)CCC(=O)c2cc3cc(Br)ccc3o2)cc1.Cc1ccc(C(=O)CCC(=O)c2cc3ccccc3s2)cc1.Cc1ccc(C(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1.Cc1ccc(C(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1.Cc1ccc(C(=O)CCC(=O)c2csc3ccccc23)cc1.Cc1cccc(C(=O)CCC(=O)c2ccc3c(c2)OCCO3)c1.Cc1cccc(C(=O)CCC(=O)c2csc3ccccc23)c1.Cc1cccc(C(=O)CCC(=O)c2csc3ccccc23)c1.Cc1cccc(C(=O)CCC(=O)c2csc3ccccc23)c1.Cn1c(C(=O)CCC(=O)c2ccccc2)cc2ccccc21.O=C(CCC(=O)c1cc2ccccc2s1)c1ccccc1.O=C(CCC(=O)c1ccc2c(c1)OCCO2)c1ccccc1.O=C(CCC(=O)c1ccccc1O)c1ccc2c(c1)OCCO2.O=C(CCC(=O)c1ccccn1)c1ccc2c(c1)OCCO2.O=C(CCC(=O)c1cccs1)c1ccc2c(c1)OCCO2.O=C(CCC(=O)c1csc2ccccc12)c1ccccc1Cl
• InChI: InChI=1S/C19H15BrO3.2C19H17NO2.C19H18O5.3C19H18O4.5C19H16O2S.C18H13ClO2S.C18H16O5.C18H16O4.C18H14O2S.C17H15NO4.C16H14O4S.CH4/c1-12-2-4-13(5-3-12)16(21)7-8-17(22)19-11-14-10-15(20)6-9-18(14)23-19;1-20-16-10-6-5-9-15(16)13-17(20)19(22)12-11-18(21)14-7-3-2-4-8-14;1-13-6-8-14(9-7-13)18(21)10-11-19(22)16-12-20-17-5-3-2-4-15(16)17;1-22-15-5-2-13(3-6-15)16(20)7-8-17(21)14-4-9-18-19(12-14)24-11-10-23-18;2*1-13-2-4-14(5-3-13)16(20)7-8-17(21)15-6-9-18-19(12-15)23-11-10-22-18;1-13-3-2-4-14(11-13)16(20)6-7-17(21)15-5-8-18-19(12-15)23-10-9-22-18;3*1-13-5-4-6-14(11-13)17(20)9-10-18(21)16-12-22-19-8-3-2-7-15(16)19;1-13-6-8-14(9-7-13)17(20)10-11-18(21)16-12-22-19-5-3-2-4-15(16)19;1-13-6-8-14(9-7-13)16(20)10-11-17(21)19-12-15-4-2-3-5-18(15)22-19;19-15-7-3-1-6-13(15)16(20)9-10-17(21)14-11-22-18-8-4-2-5-12(14)18;19-14(6-7-16(21)13-3-1-2-4-15(13)20)12-5-8-17-18(11-12)23-10-9-22-17;19-15(13-4-2-1-3-5-13)7-8-16(20)14-6-9-17-18(12-14)22-11-10-21-17;19-15(13-6-2-1-3-7-13)10-11-16(20)18-12-14-8-4-5-9-17(14)21-18;19-14(5-6-15(20)13-3-1-2-8-18-13)12-4-7-16-17(11-12)22-10-9-21-16;17-12(4-5-13(18)16-2-1-9-21-16)11-3-6-14-15(10-11)20-8-7-19-14;/h2-6,9-11H,7-8H2,1H3;2-10,13H,11-12H2,1H3;2-9,12,20H,10-11H2,1H3;2-6,9,12H,7-8,10-11H2,1H3;2*2-6,9,12H,7-8,10-11H2,1H3;2-5,8,11-12H,6-7,9-10H2,1H3;3*2-8,11-12H,9-10H2,1H3;2*2-9,12H,10-11H2,1H3;1-8,11H,9-10H2;1-5,8,11,20H,6-7,9-10H2;1-6,9,12H,7-8,10-11H2;1-9,12H,10-11H2;1-4,7-8,11H,5-6,9-10H2;1-3,6,9-10H,4-5,7-8H2;1H4
• InChIKey: RNAWHGKURRXBEL-UHFFFAOYSA-N
• XLogP: 76.28
• TPSA: 838.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 65
• Rotatable Bonds: 91
• Heavy Atoms: 402
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5600.88
LogP ≤ 5	76.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	65

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-4-(2-chlorophenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-(4-methylphenyl)butane-1,4-dione;tris(1-(1-benzothiophen-3-yl)-4-(3-methylphenyl)butane-1,4-dione);1-(1-benzothiophen-3-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-phenylbutane-1,4-dione;1-(5-bromo-1-benzofuran-2-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-hydroxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)butane-1,4-dione;bis(1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methylphenyl)butane-1,4-dione;methane;1-(1-methylindol-2-yl)-4-phenylbutane-1,4-dione?

The IUPAC name of 1-(1-benzothiophen-3-yl)-4-(2-chlorophenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-(4-methylphenyl)butane-1,4-dione;tris(1-(1-benzothiophen-3-yl)-4-(3-methylphenyl)butane-1,4-dione);1-(1-benzothiophen-3-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-phenylbutane-1,4-dione;1-(5-bromo-1-benzofuran-2-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-hydroxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)butane-1,4-dione;bis(1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methylphenyl)butane-1,4-dione;methane;1-(1-methylindol-2-yl)-4-phenylbutane-1,4-dione (CID 160672031) is 1-(1-benzothiophen-3-yl)-4-(2-chlorophenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-(4-methylphenyl)butane-1,4-dione;tris(1-(1-benzothiophen-3-yl)-4-(3-methylphenyl)butane-1,4-dione);1-(1-benzothiophen-3-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-phenylbutane-1,4-dione;1-(5-bromo-1-benzofuran-2-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-hydroxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)butane-1,4-dione;bis(1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methylphenyl)butane-1,4-dione;methane;1-(1-methylindol-2-yl)-4-phenylbutane-1,4-dione.

What is the SMILES notation for 1-(1-benzothiophen-3-yl)-4-(2-chlorophenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-(4-methylphenyl)butane-1,4-dione;tris(1-(1-benzothiophen-3-yl)-4-(3-methylphenyl)butane-1,4-dione);1-(1-benzothiophen-3-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-phenylbutane-1,4-dione;1-(5-bromo-1-benzofuran-2-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-hydroxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)butane-1,4-dione;bis(1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methylphenyl)butane-1,4-dione;methane;1-(1-methylindol-2-yl)-4-phenylbutane-1,4-dione?

The canonical SMILES for 1-(1-benzothiophen-3-yl)-4-(2-chlorophenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-(4-methylphenyl)butane-1,4-dione;tris(1-(1-benzothiophen-3-yl)-4-(3-methylphenyl)butane-1,4-dione);1-(1-benzothiophen-3-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-phenylbutane-1,4-dione;1-(5-bromo-1-benzofuran-2-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-hydroxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)butane-1,4-dione;bis(1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methylphenyl)butane-1,4-dione;methane;1-(1-methylindol-2-yl)-4-phenylbutane-1,4-dione is C.COc1ccc(C(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1.Cc1ccc(C(=O)CCC(=O)c2c[nH]c3ccccc23)cc1.Cc1ccc(C(=O)CCC(=O)c2cc3cc(Br)ccc3o2)cc1.Cc1ccc(C(=O)CCC(=O)c2cc3ccccc3s2)cc1.Cc1ccc(C(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1.Cc1ccc(C(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1.Cc1ccc(C(=O)CCC(=O)c2csc3ccccc23)cc1.Cc1cccc(C(=O)CCC(=O)c2ccc3c(c2)OCCO3)c1.Cc1cccc(C(=O)CCC(=O)c2csc3ccccc23)c1.Cc1cccc(C(=O)CCC(=O)c2csc3ccccc23)c1.Cc1cccc(C(=O)CCC(=O)c2csc3ccccc23)c1.Cn1c(C(=O)CCC(=O)c2ccccc2)cc2ccccc21.O=C(CCC(=O)c1cc2ccccc2s1)c1ccccc1.O=C(CCC(=O)c1ccc2c(c1)OCCO2)c1ccccc1.O=C(CCC(=O)c1ccccc1O)c1ccc2c(c1)OCCO2.O=C(CCC(=O)c1ccccn1)c1ccc2c(c1)OCCO2.O=C(CCC(=O)c1cccs1)c1ccc2c(c1)OCCO2.O=C(CCC(=O)c1csc2ccccc12)c1ccccc1Cl.

What is the InChIKey of 1-(1-benzothiophen-3-yl)-4-(2-chlorophenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-(4-methylphenyl)butane-1,4-dione;tris(1-(1-benzothiophen-3-yl)-4-(3-methylphenyl)butane-1,4-dione);1-(1-benzothiophen-3-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-phenylbutane-1,4-dione;1-(5-bromo-1-benzofuran-2-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-hydroxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)butane-1,4-dione;bis(1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methylphenyl)butane-1,4-dione;methane;1-(1-methylindol-2-yl)-4-phenylbutane-1,4-dione?

The InChIKey is RNAWHGKURRXBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrO3.2C19H17NO2.C19H18O5.3C19H18O4.5C19H16O2S.C18H13ClO2S.C18H16O5.C18H16O4.C18H14O2S.C17H15NO4.C16H14O4S.CH4/c1-12-2-4-13(5-3-12)16(21)7-8-17(22)19-11-14-10-15(20)6-9-18(14)23-19;1-20-16-10-6-5-9-15(16)13-17(20)19(22)12-11-18(21)14-7-3-2-4-8-14;1-13-6-8-14(9-7-13)18(21)10-11-19(22)16-12-20-17-5-3-2-4-15(16)17;1-22-15-5-2-13(3-6-15)16(20)7-8-17(21)14-4-9-18-19(12-14)24-11-10-23-18;2*1-13-2-4-14(5-3-13)16(20)7-8-17(21)15-6-9-18-19(12-15)23-11-10-22-18;1-13-3-2-4-14(11-13)16(20)6-7-17(21)15-5-8-18-19(12-15)23-10-9-22-18;3*1-13-5-4-6-14(11-13)17(20)9-10-18(21)16-12-22-19-8-3-2-7-15(16)19;1-13-6-8-14(9-7-13)17(20)10-11-18(21)16-12-22-19-5-3-2-4-15(16)19;1-13-6-8-14(9-7-13)16(20)10-11-17(21)19-12-15-4-2-3-5-18(15)22-19;19-15-7-3-1-6-13(15)16(20)9-10-17(21)14-11-22-18-8-4-2-5-12(14)18;19-14(6-7-16(21)13-3-1-2-4-15(13)20)12-5-8-17-18(11-12)23-10-9-22-17;19-15(13-4-2-1-3-5-13)7-8-16(20)14-6-9-17-18(12-14)22-11-10-21-17;19-15(13-6-2-1-3-7-13)10-11-16(20)18-12-14-8-4-5-9-17(14)21-18;19-14(5-6-15(20)13-3-1-2-8-18-13)12-4-7-16-17(11-12)22-10-9-21-16;17-12(4-5-13(18)16-2-1-9-21-16)11-3-6-14-15(10-11)20-8-7-19-14;/h2-6,9-11H,7-8H2,1H3;2-10,13H,11-12H2,1H3;2-9,12,20H,10-11H2,1H3;2-6,9,12H,7-8,10-11H2,1H3;2*2-6,9,12H,7-8,10-11H2,1H3;2-5,8,11-12H,6-7,9-10H2,1H3;3*2-8,11-12H,9-10H2,1H3;2*2-9,12H,10-11H2,1H3;1-8,11H,9-10H2;1-5,8,11,20H,6-7,9-10H2;1-6,9,12H,7-8,10-11H2;1-9,12H,10-11H2;1-4,7-8,11H,5-6,9-10H2;1-3,6,9-10H,4-5,7-8H2;1H4.

What are the key properties of 1-(1-benzothiophen-3-yl)-4-(2-chlorophenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-(4-methylphenyl)butane-1,4-dione;tris(1-(1-benzothiophen-3-yl)-4-(3-methylphenyl)butane-1,4-dione);1-(1-benzothiophen-3-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-phenylbutane-1,4-dione;1-(5-bromo-1-benzofuran-2-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-hydroxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)butane-1,4-dione;bis(1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methylphenyl)butane-1,4-dione;methane;1-(1-methylindol-2-yl)-4-phenylbutane-1,4-dione?

1-(1-benzothiophen-3-yl)-4-(2-chlorophenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-(4-methylphenyl)butane-1,4-dione;tris(1-(1-benzothiophen-3-yl)-4-(3-methylphenyl)butane-1,4-dione);1-(1-benzothiophen-3-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-phenylbutane-1,4-dione;1-(5-bromo-1-benzofuran-2-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-hydroxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)butane-1,4-dione;bis(1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methylphenyl)butane-1,4-dione;methane;1-(1-methylindol-2-yl)-4-phenylbutane-1,4-dione has a molecular weight of 5600.88 g/mol, XLogP of 76.28, 91 rotatable bonds, 2 hydrogen bond donors, and 65 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-benzothiophen-3-yl)-4-(2-chlorophenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-(4-methylphenyl)butane-1,4-dione;tris(1-(1-benzothiophen-3-yl)-4-(3-methylphenyl)butane-1,4-dione);1-(1-benzothiophen-3-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzothiophen-2-yl)-4-phenylbutane-1,4-dione;1-(5-bromo-1-benzofuran-2-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-hydroxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)butane-1,4-dione;bis(1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-(1H-indol-3-yl)-4-(4-methylphenyl)butane-1,4-dione;methane;1-(1-methylindol-2-yl)-4-phenylbutane-1,4-dione is sourced from PubChem (CID 160672031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).