2-(2,6-dibromophenyl)-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-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine

C45H16Br2Cl26F2N12 — CID 54555155

About 2-(2,6-dibromophenyl)-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-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine

2-(2,6-dibromophenyl)-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-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine (PubChem CID 54555155) has the molecular formula C45H16Br2Cl26F2N12 and a molecular weight of 1844.29 g/mol. Its IUPAC name is 2-(2,6-dibromophenyl)-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-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(2,6-dibromophenyl)-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-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
• PubChem CID: 54555155
• Molecular Formula: C45H16Br2Cl26F2N12
• Molecular Weight: 1844.29 g/mol
• Exact Mass: 1829.19
• IUPAC Name: 2-(2,6-dibromophenyl)-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-methylphenyl)-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(-c2c(Br)cccc2Br)nc(C(Cl)(Cl)Cl)n1.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
• InChI: InChI=1S/C12H7Cl6N3.C11H3Br2Cl6N3.C11H3Cl8N3.C11H3Cl6F2N3/c1-6-2-4-7(5-3-6)8-19-9(11(13,14)15)21-10(20-8)12(16,17)18;2*12-4-2-1-3-5(13)6(4)7-20-8(10(14,15)16)22-9(21-7)11(17,18)19;12-10(13,14)8-20-7(21-9(22-8)11(15,16)17)6-4(18)2-1-3-5(6)19/h2-5H,1H3;3*1-3H
• InChIKey: ZMQRHTMRQMCZCR-UHFFFAOYSA-N
• XLogP: 24.19
• TPSA: 154.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1844.29
LogP ≤ 5	24.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromophenyl)-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-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine?

The IUPAC name of 2-(2,6-dibromophenyl)-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-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine (CID 54555155) is 2-(2,6-dibromophenyl)-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-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine.

What is the SMILES notation for 2-(2,6-dibromophenyl)-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-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine?

The canonical SMILES for 2-(2,6-dibromophenyl)-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-methylphenyl)-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(-c2c(Br)cccc2Br)nc(C(Cl)(Cl)Cl)n1.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.

What is the InChIKey of 2-(2,6-dibromophenyl)-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-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine?

The InChIKey is ZMQRHTMRQMCZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl6N3.C11H3Br2Cl6N3.C11H3Cl8N3.C11H3Cl6F2N3/c1-6-2-4-7(5-3-6)8-19-9(11(13,14)15)21-10(20-8)12(16,17)18;2*12-4-2-1-3-5(13)6(4)7-20-8(10(14,15)16)22-9(21-7)11(17,18)19;12-10(13,14)8-20-7(21-9(22-8)11(15,16)17)6-4(18)2-1-3-5(6)19/h2-5H,1H3;3*1-3H.

What are the key properties of 2-(2,6-dibromophenyl)-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-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine?

2-(2,6-dibromophenyl)-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-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine has a molecular weight of 1844.29 g/mol, XLogP of 24.19, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dibromophenyl)-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-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 54555155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).