2-(1,3-benzodioxol-5-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;1-[8-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-5-methoxynaphthalen-2-yl]ethanone;2-[(E)-2-(4-chlorophenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methoxynaphthalen-1-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-naphthalen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine

C88H47Cl37N18O6 — CID 162173782

About 2-(1,3-benzodioxol-5-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;1-[8-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-5-methoxynaphthalen-2-yl]ethanone;2-[(E)-2-(4-chlorophenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methoxynaphthalen-1-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-naphthalen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine

2-(1,3-benzodioxol-5-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;1-[8-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-5-methoxynaphthalen-2-yl]ethanone;2-[(E)-2-(4-chlorophenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methoxynaphthalen-1-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-naphthalen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine (PubChem CID 162173782) has the molecular formula C88H47Cl37N18O6 and a molecular weight of 2764.22 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;1-[8-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-5-methoxynaphthalen-2-yl]ethanone;2-[(E)-2-(4-chlorophenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methoxynaphthalen-1-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-naphthalen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(1,3-benzodioxol-5-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;1-[8-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-5-methoxynaphthalen-2-yl]ethanone;2-[(E)-2-(4-chlorophenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methoxynaphthalen-1-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-naphthalen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine
• PubChem CID: 162173782
• Molecular Formula: C88H47Cl37N18O6
• Molecular Weight: 2764.22 g/mol
• Exact Mass: 2745.24
• IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;1-[8-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-5-methoxynaphthalen-2-yl]ethanone;2-[(E)-2-(4-chlorophenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methoxynaphthalen-1-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-naphthalen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine
• SMILES: COc1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)c2cc(C(C)=O)ccc12.COc1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)c2ccccc12.COc1ccc(/C=C/c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1.ClC(Cl)(Cl)c1nc(-c2ccc3c(c2)OCO3)nc(C(Cl)(Cl)Cl)n1.ClC(Cl)(Cl)c1nc(-c2ccc3ccccc3c2)nc(C(Cl)(Cl)Cl)n1.Clc1ccc(/C=C/c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1
• InChI: InChI=1S/C18H11Cl6N3O2.C16H9Cl6N3O.C15H7Cl6N3.C14H9Cl6N3O.C13H6Cl7N3.C12H5Cl6N3O2/c1-8(28)9-3-4-10-12(7-9)11(5-6-13(10)29-2)14-25-15(17(19,20)21)27-16(26-14)18(22,23)24;1-26-11-7-6-10(8-4-2-3-5-9(8)11)12-23-13(15(17,18)19)25-14(24-12)16(20,21)22;16-14(17,18)12-22-11(23-13(24-12)15(19,20)21)10-6-5-8-3-1-2-4-9(8)7-10;1-24-9-5-2-8(3-6-9)4-7-10-21-11(13(15,16)17)23-12(22-10)14(18,19)20;14-8-4-1-7(2-5-8)3-6-9-21-10(12(15,16)17)23-11(22-9)13(18,19)20;13-11(14,15)9-19-8(20-10(21-9)12(16,17)18)5-1-2-6-7(3-5)23-4-22-6/h3-7H,1-2H3;2-7H,1H3;1-7H;2-7H,1H3;1-6H;1-3H,4H2/b;;;7-4+;6-3+
• InChIKey: ZOCXEOPWFUUUKG-ZCEQIGKNSA-N
• XLogP: 36.23
• TPSA: 295.24 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2764.22
LogP ≤ 5	36.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;1-[8-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-5-methoxynaphthalen-2-yl]ethanone;2-[(E)-2-(4-chlorophenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methoxynaphthalen-1-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-naphthalen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine?

The IUPAC name of 2-(1,3-benzodioxol-5-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;1-[8-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-5-methoxynaphthalen-2-yl]ethanone;2-[(E)-2-(4-chlorophenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methoxynaphthalen-1-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-naphthalen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine (CID 162173782) is 2-(1,3-benzodioxol-5-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;1-[8-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-5-methoxynaphthalen-2-yl]ethanone;2-[(E)-2-(4-chlorophenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methoxynaphthalen-1-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-naphthalen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine.

What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;1-[8-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-5-methoxynaphthalen-2-yl]ethanone;2-[(E)-2-(4-chlorophenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methoxynaphthalen-1-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-naphthalen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine?

The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;1-[8-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-5-methoxynaphthalen-2-yl]ethanone;2-[(E)-2-(4-chlorophenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methoxynaphthalen-1-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-naphthalen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine is COc1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)c2cc(C(C)=O)ccc12.COc1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)c2ccccc12.COc1ccc(/C=C/c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1.ClC(Cl)(Cl)c1nc(-c2ccc3c(c2)OCO3)nc(C(Cl)(Cl)Cl)n1.ClC(Cl)(Cl)c1nc(-c2ccc3ccccc3c2)nc(C(Cl)(Cl)Cl)n1.Clc1ccc(/C=C/c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1.

What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;1-[8-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-5-methoxynaphthalen-2-yl]ethanone;2-[(E)-2-(4-chlorophenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methoxynaphthalen-1-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-naphthalen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine?

The InChIKey is ZOCXEOPWFUUUKG-ZCEQIGKNSA-N. The full InChI is InChI=1S/C18H11Cl6N3O2.C16H9Cl6N3O.C15H7Cl6N3.C14H9Cl6N3O.C13H6Cl7N3.C12H5Cl6N3O2/c1-8(28)9-3-4-10-12(7-9)11(5-6-13(10)29-2)14-25-15(17(19,20)21)27-16(26-14)18(22,23)24;1-26-11-7-6-10(8-4-2-3-5-9(8)11)12-23-13(15(17,18)19)25-14(24-12)16(20,21)22;16-14(17,18)12-22-11(23-13(24-12)15(19,20)21)10-6-5-8-3-1-2-4-9(8)7-10;1-24-9-5-2-8(3-6-9)4-7-10-21-11(13(15,16)17)23-12(22-10)14(18,19)20;14-8-4-1-7(2-5-8)3-6-9-21-10(12(15,16)17)23-11(22-9)13(18,19)20;13-11(14,15)9-19-8(20-10(21-9)12(16,17)18)5-1-2-6-7(3-5)23-4-22-6/h3-7H,1-2H3;2-7H,1H3;1-7H;2-7H,1H3;1-6H;1-3H,4H2/b;;;7-4+;6-3+;.

What are the key properties of 2-(1,3-benzodioxol-5-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;1-[8-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-5-methoxynaphthalen-2-yl]ethanone;2-[(E)-2-(4-chlorophenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methoxynaphthalen-1-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-naphthalen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine?

2-(1,3-benzodioxol-5-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;1-[8-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-5-methoxynaphthalen-2-yl]ethanone;2-[(E)-2-(4-chlorophenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methoxynaphthalen-1-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-naphthalen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine has a molecular weight of 2764.22 g/mol, XLogP of 36.23, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzodioxol-5-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;1-[8-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-5-methoxynaphthalen-2-yl]ethanone;2-[(E)-2-(4-chlorophenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methoxynaphthalen-1-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine;2-naphthalen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 162173782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).