2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-chlorophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-methoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;bis(2-[2-(4-methylphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole);2-[2-[4-(2-phenylethenyl)phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[4-(2-phenylethenyl)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2,4,6-tris(trichloromethyl)-1,3,5-triazine

C137H82Br3Cl44N25O13 — CID 159956043

About 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-chlorophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-methoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;bis(2-[2-(4-methylphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole);2-[2-[4-(2-phenylethenyl)phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[4-(2-phenylethenyl)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2,4,6-tris(trichloromethyl)-1,3,5-triazine

2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-chlorophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-methoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;bis(2-[2-(4-methylphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole);2-[2-[4-(2-phenylethenyl)phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[4-(2-phenylethenyl)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2,4,6-tris(trichloromethyl)-1,3,5-triazine (PubChem CID 159956043) has the molecular formula C137H82Br3Cl44N25O13 and a molecular weight of 4085.97 g/mol. Its IUPAC name is 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-chlorophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-methoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;bis(2-[2-(4-methylphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole);2-[2-[4-(2-phenylethenyl)phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[4-(2-phenylethenyl)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2,4,6-tris(trichloromethyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-chlorophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-methoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;bis(2-[2-(4-methylphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole);2-[2-[4-(2-phenylethenyl)phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[4-(2-phenylethenyl)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2,4,6-tris(trichloromethyl)-1,3,5-triazine
• PubChem CID: 159956043
• Molecular Formula: C137H82Br3Cl44N25O13
• Molecular Weight: 4085.97 g/mol
• Exact Mass: 4060.04
• IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-chlorophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-methoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;bis(2-[2-(4-methylphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole);2-[2-[4-(2-phenylethenyl)phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[4-(2-phenylethenyl)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2,4,6-tris(trichloromethyl)-1,3,5-triazine
• SMILES: COc1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1.COc1ccc(C=Cc2nnc(C(Br)(Br)Br)o2)cc1.Cc1ccc(C=Cc2nnc(C(Cl)(Cl)Cl)o2)cc1.Cc1ccc(C=Cc2nnc(C(Cl)(Cl)Cl)o2)cc1.ClC(Cl)(Cl)c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1.ClC(Cl)(Cl)c1nnc(-c2ccc(C=Cc3ccccc3)cc2)o1.ClC(Cl)(Cl)c1nnc(C=Cc2cc3ccccc3o2)o1.ClC(Cl)(Cl)c1nnc(C=Cc2ccc(C=Cc3ccccc3)cc2)o1.ClC(Cl)(Cl)c1nnc(C=Cc2ccc3c(c2)OCO3)o1.Clc1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1.Clc1ccc(C=Cc2nnc(C(Cl)(Cl)Cl)o2)cc1
• InChI: InChI=1S/C19H13Cl3N2O.C17H11Cl3N2O.C13H7Cl3N2O2.C12H9Br3N2O2.C12H7Cl6N3O.C12H7Cl3N2O3.2C12H9Cl3N2O.C11H4Cl7N3.C11H6Cl4N2O.C6Cl9N3/c20-19(21,22)18-24-23-17(25-18)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14;18-17(19,20)16-22-21-15(23-16)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12;14-13(15,16)12-18-17-11(20-12)6-5-9-7-8-3-1-2-4-10(8)19-9;1-18-9-5-2-8(3-6-9)4-7-10-16-17-11(19-10)12(13,14)15;1-22-7-4-2-6(3-5-7)8-19-9(11(13,14)15)21-10(20-8)12(16,17)18;13-12(14,15)11-17-16-10(20-11)4-2-7-1-3-8-9(5-7)19-6-18-8;2*1-8-2-4-9(5-3-8)6-7-10-16-17-11(18-10)12(13,14)15;12-6-3-1-5(2-4-6)7-19-8(10(13,14)15)21-9(20-7)11(16,17)18;12-8-4-1-7(2-5-8)3-6-9-16-17-10(18-9)11(13,14)15;7-4(8,9)1-16-2(5(10,11)12)18-3(17-1)6(13,14)15/h1-13H;1-11H;1-7H;2-7H,1H3;2-5H,1H3;1-5H,6H2;2*2-7H,1H3;1-4H;1-6H
• InChIKey: OCSPQWDTCPGSEQ-UHFFFAOYSA-N
• XLogP: 54.99
• TPSA: 477.43 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 23
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4085.97
LogP ≤ 5	54.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-chlorophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-methoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;bis(2-[2-(4-methylphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole);2-[2-[4-(2-phenylethenyl)phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[4-(2-phenylethenyl)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2,4,6-tris(trichloromethyl)-1,3,5-triazine?

The IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-chlorophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-methoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;bis(2-[2-(4-methylphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole);2-[2-[4-(2-phenylethenyl)phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[4-(2-phenylethenyl)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2,4,6-tris(trichloromethyl)-1,3,5-triazine (CID 159956043) is 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-chlorophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-methoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;bis(2-[2-(4-methylphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole);2-[2-[4-(2-phenylethenyl)phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[4-(2-phenylethenyl)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2,4,6-tris(trichloromethyl)-1,3,5-triazine.

What is the SMILES notation for 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-chlorophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-methoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;bis(2-[2-(4-methylphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole);2-[2-[4-(2-phenylethenyl)phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[4-(2-phenylethenyl)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2,4,6-tris(trichloromethyl)-1,3,5-triazine?

The canonical SMILES for 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-chlorophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-methoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;bis(2-[2-(4-methylphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole);2-[2-[4-(2-phenylethenyl)phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[4-(2-phenylethenyl)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2,4,6-tris(trichloromethyl)-1,3,5-triazine is COc1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1.COc1ccc(C=Cc2nnc(C(Br)(Br)Br)o2)cc1.Cc1ccc(C=Cc2nnc(C(Cl)(Cl)Cl)o2)cc1.Cc1ccc(C=Cc2nnc(C(Cl)(Cl)Cl)o2)cc1.ClC(Cl)(Cl)c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1.ClC(Cl)(Cl)c1nnc(-c2ccc(C=Cc3ccccc3)cc2)o1.ClC(Cl)(Cl)c1nnc(C=Cc2cc3ccccc3o2)o1.ClC(Cl)(Cl)c1nnc(C=Cc2ccc(C=Cc3ccccc3)cc2)o1.ClC(Cl)(Cl)c1nnc(C=Cc2ccc3c(c2)OCO3)o1.Clc1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1.Clc1ccc(C=Cc2nnc(C(Cl)(Cl)Cl)o2)cc1.

What is the InChIKey of 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-chlorophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-methoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;bis(2-[2-(4-methylphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole);2-[2-[4-(2-phenylethenyl)phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[4-(2-phenylethenyl)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2,4,6-tris(trichloromethyl)-1,3,5-triazine?

The InChIKey is OCSPQWDTCPGSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3N2O.C17H11Cl3N2O.C13H7Cl3N2O2.C12H9Br3N2O2.C12H7Cl6N3O.C12H7Cl3N2O3.2C12H9Cl3N2O.C11H4Cl7N3.C11H6Cl4N2O.C6Cl9N3/c20-19(21,22)18-24-23-17(25-18)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14;18-17(19,20)16-22-21-15(23-16)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12;14-13(15,16)12-18-17-11(20-12)6-5-9-7-8-3-1-2-4-10(8)19-9;1-18-9-5-2-8(3-6-9)4-7-10-16-17-11(19-10)12(13,14)15;1-22-7-4-2-6(3-5-7)8-19-9(11(13,14)15)21-10(20-8)12(16,17)18;13-12(14,15)11-17-16-10(20-11)4-2-7-1-3-8-9(5-7)19-6-18-8;2*1-8-2-4-9(5-3-8)6-7-10-16-17-11(18-10)12(13,14)15;12-6-3-1-5(2-4-6)7-19-8(10(13,14)15)21-9(20-7)11(16,17)18;12-8-4-1-7(2-5-8)3-6-9-16-17-10(18-9)11(13,14)15;7-4(8,9)1-16-2(5(10,11)12)18-3(17-1)6(13,14)15/h1-13H;1-11H;1-7H;2-7H,1H3;2-5H,1H3;1-5H,6H2;2*2-7H,1H3;1-4H;1-6H;.

What are the key properties of 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-chlorophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-methoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;bis(2-[2-(4-methylphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole);2-[2-[4-(2-phenylethenyl)phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[4-(2-phenylethenyl)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2,4,6-tris(trichloromethyl)-1,3,5-triazine?

2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-chlorophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-methoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;bis(2-[2-(4-methylphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole);2-[2-[4-(2-phenylethenyl)phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[4-(2-phenylethenyl)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2,4,6-tris(trichloromethyl)-1,3,5-triazine has a molecular weight of 4085.97 g/mol, XLogP of 54.99, 23 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[2-(1-benzofuran-2-yl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-chlorophenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[2-(4-methoxyphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole;bis(2-[2-(4-methylphenyl)ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole);2-[2-[4-(2-phenylethenyl)phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2-[4-(2-phenylethenyl)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole;2,4,6-tris(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 159956043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).