2,6-diphenyl-4-(trichloromethyl)-1,4-dihydro-1,3,5-triazine

C16H12Cl3N3 — CID 3632742

IUPAC2,6-diphenyl-4-(trichloromethyl)-1,4-dihydro-1,3,5-triazine
SMILESClC(Cl)(Cl)C1N=C(c2ccccc2)NC(c2ccccc2)=N1
InChIInChI=1S/C16H12Cl3N3/c17-16(18,19)15-21-13(11-7-3-1-4-8-11)20-14(22-15)12-9-5-2-6-10-12/h1-10,15H,(H,20,21,22)
InChIKeyDZGVBMYDHMIOCK-UHFFFAOYSA-N
MW352.65 g/mol
LogP4.18
Rot. Bonds2

About 2,6-diphenyl-4-(trichloromethyl)-1,4-dihydro-1,3,5-triazine

2,6-diphenyl-4-(trichloromethyl)-1,4-dihydro-1,3,5-triazine (PubChem CID 3632742) has the molecular formula C16H12Cl3N3 and a molecular weight of 352.65 g/mol. Its IUPAC name is 2,6-diphenyl-4-(trichloromethyl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2,6-diphenyl-4-(trichloromethyl)-1,4-dihydro-1,3,5-triazine
PubChem CID3632742
Molecular FormulaC16H12Cl3N3
Molecular Weight352.65 g/mol
Exact Mass351.01
IUPAC Name2,6-diphenyl-4-(trichloromethyl)-1,4-dihydro-1,3,5-triazine
SMILESClC(Cl)(Cl)C1N=C(c2ccccc2)NC(c2ccccc2)=N1
InChIInChI=1S/C16H12Cl3N3/c17-16(18,19)15-21-13(11-7-3-1-4-8-11)20-14(22-15)12-9-5-2-6-10-12/h1-10,15H,(H,20,21,22)
InChIKeyDZGVBMYDHMIOCK-UHFFFAOYSA-N
XLogP4.18
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.65
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-4-(trichloromethyl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2,6-diphenyl-4-(trichloromethyl)-1,4-dihydro-1,3,5-triazine (CID 3632742) is 2,6-diphenyl-4-(trichloromethyl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2,6-diphenyl-4-(trichloromethyl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2,6-diphenyl-4-(trichloromethyl)-1,4-dihydro-1,3,5-triazine is ClC(Cl)(Cl)C1N=C(c2ccccc2)NC(c2ccccc2)=N1.
What is the InChIKey of 2,6-diphenyl-4-(trichloromethyl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is DZGVBMYDHMIOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3N3/c17-16(18,19)15-21-13(11-7-3-1-4-8-11)20-14(22-15)12-9-5-2-6-10-12/h1-10,15H,(H,20,21,22).
What are the key properties of 2,6-diphenyl-4-(trichloromethyl)-1,4-dihydro-1,3,5-triazine?
2,6-diphenyl-4-(trichloromethyl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 352.65 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-4-(trichloromethyl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 3632742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).