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

C21H15ClFN3 — CID 163536076

IUPAC4-(4-chloro-2-fluorophenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESFc1cc(Cl)ccc1C1N=C(c2ccccc2)NC(c2ccccc2)=N1
InChIInChI=1S/C21H15ClFN3/c22-16-11-12-17(18(23)13-16)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15/h1-13,21H,(H,24,25,26)
InChIKeyDXBWMXHBQFTKHH-UHFFFAOYSA-N
MW363.82 g/mol
LogP4.97
Rot. Bonds3

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

4-(4-chloro-2-fluorophenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 163536076) has the molecular formula C21H15ClFN3 and a molecular weight of 363.82 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID163536076
Molecular FormulaC21H15ClFN3
Molecular Weight363.82 g/mol
Exact Mass363.09
IUPAC Name4-(4-chloro-2-fluorophenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESFc1cc(Cl)ccc1C1N=C(c2ccccc2)NC(c2ccccc2)=N1
InChIInChI=1S/C21H15ClFN3/c22-16-11-12-17(18(23)13-16)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15/h1-13,21H,(H,24,25,26)
InChIKeyDXBWMXHBQFTKHH-UHFFFAOYSA-N
XLogP4.97
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 163536076) is 4-(4-chloro-2-fluorophenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is Fc1cc(Cl)ccc1C1N=C(c2ccccc2)NC(c2ccccc2)=N1.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is DXBWMXHBQFTKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3/c22-16-11-12-17(18(23)13-16)21-25-19(14-7-3-1-4-8-14)24-20(26-21)15-9-5-2-6-10-15/h1-13,21H,(H,24,25,26).
What are the key properties of 4-(4-chloro-2-fluorophenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
4-(4-chloro-2-fluorophenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 363.82 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 163536076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).