2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-isocyanophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine

C68H26Cl39F2N19 — CID 91360970

About 2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-isocyanophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine

2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-isocyanophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine (PubChem CID 91360970) has the molecular formula C68H26Cl39F2N19 and a molecular weight of 2529.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-isocyanophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-isocyanophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine
• PubChem CID: 91360970
• Molecular Formula: C68H26Cl39F2N19
• Molecular Weight: 2529.75 g/mol
• Exact Mass: 2510.04
• IUPAC Name: 2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-isocyanophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine
• SMILES: Cc1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1.ClC(Cl)(Cl)c1nc(-c2ccccc2)nc(C(Cl)(Cl)Cl)n1.Clc1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1.Clc1cccc(Cl)c1-c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1.Fc1cccc(F)c1-c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1.[C-]#[N+]c1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1
• InChI: InChI=1S/C12H4Cl6N4.C12H7Cl6N3.C11H3Cl8N3.C11H4Cl7N3.C11H3Cl6F2N3.C11H5Cl6N3/c1-19-7-4-2-6(3-5-7)8-20-9(11(13,14)15)22-10(21-8)12(16,17)18;1-6-2-4-7(5-3-6)8-19-9(11(13,14)15)21-10(20-8)12(16,17)18;12-4-2-1-3-5(13)6(4)7-20-8(10(14,15)16)22-9(21-7)11(17,18)19;12-6-3-1-5(2-4-6)7-19-8(10(13,14)15)21-9(20-7)11(16,17)18;12-10(13,14)8-20-7(21-9(22-8)11(15,16)17)6-4(18)2-1-3-5(6)19;12-10(13,14)8-18-7(6-4-2-1-3-5-6)19-9(20-8)11(15,16)17/h2-5H;2-5H,1H3;1-3H;1-4H;1-3H;1-5H
• InChIKey: NATCDIGNMIYDTR-UHFFFAOYSA-N
• XLogP: 34.25
• TPSA: 236.38 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2529.75
LogP ≤ 5	34.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-isocyanophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine?

The IUPAC name of 2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-isocyanophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine (CID 91360970) is 2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-isocyanophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine.

What is the SMILES notation for 2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-isocyanophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine?

The canonical SMILES for 2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-isocyanophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine is Cc1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1.ClC(Cl)(Cl)c1nc(-c2ccccc2)nc(C(Cl)(Cl)Cl)n1.Clc1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1.Clc1cccc(Cl)c1-c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1.Fc1cccc(F)c1-c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1.[C-]#[N+]c1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1.

What is the InChIKey of 2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-isocyanophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine?

The InChIKey is NATCDIGNMIYDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl6N4.C12H7Cl6N3.C11H3Cl8N3.C11H4Cl7N3.C11H3Cl6F2N3.C11H5Cl6N3/c1-19-7-4-2-6(3-5-7)8-20-9(11(13,14)15)22-10(21-8)12(16,17)18;1-6-2-4-7(5-3-6)8-19-9(11(13,14)15)21-10(20-8)12(16,17)18;12-4-2-1-3-5(13)6(4)7-20-8(10(14,15)16)22-9(21-7)11(17,18)19;12-6-3-1-5(2-4-6)7-19-8(10(13,14)15)21-9(20-7)11(16,17)18;12-10(13,14)8-20-7(21-9(22-8)11(15,16)17)6-4(18)2-1-3-5(6)19;12-10(13,14)8-18-7(6-4-2-1-3-5-6)19-9(20-8)11(15,16)17/h2-5H;2-5H,1H3;1-3H;1-4H;1-3H;1-5H.

What are the key properties of 2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-isocyanophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine?

2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-isocyanophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine has a molecular weight of 2529.75 g/mol, XLogP of 34.25, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-isocyanophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 91360970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).