2-(3-chloro-4-fluorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

C27H17ClFN3 — CID 162501257

IUPAC2-(3-chloro-4-fluorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1Cl
InChIInChI=1S/C27H17ClFN3/c28-23-17-22(14-15-24(23)29)27-31-25(19-10-5-2-6-11-19)30-26(32-27)21-13-7-12-20(16-21)18-8-3-1-4-9-18/h1-17H
InChIKeyBKRZIEOPZHMUPL-UHFFFAOYSA-N
MW437.91 g/mol
LogP7.33
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

2-(3-chloro-4-fluorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 162501257) has the molecular formula C27H17ClFN3 and a molecular weight of 437.91 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID162501257
Molecular FormulaC27H17ClFN3
Molecular Weight437.91 g/mol
Exact Mass437.11
IUPAC Name2-(3-chloro-4-fluorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1Cl
InChIInChI=1S/C27H17ClFN3/c28-23-17-22(14-15-24(23)29)27-31-25(19-10-5-2-6-11-19)30-26(32-27)21-13-7-12-20(16-21)18-8-3-1-4-9-18/h1-17H
InChIKeyBKRZIEOPZHMUPL-UHFFFAOYSA-N
XLogP7.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.91
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 162501257) is 2-(3-chloro-4-fluorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is Fc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is BKRZIEOPZHMUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17ClFN3/c28-23-17-22(14-15-24(23)29)27-31-25(19-10-5-2-6-11-19)30-26(32-27)21-13-7-12-20(16-21)18-8-3-1-4-9-18/h1-17H.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-(3-chloro-4-fluorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 437.91 g/mol, XLogP of 7.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 162501257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).