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

C25H15ClFN3 — CID 162486317

IUPAC2-(3-chloro-4-fluorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)n2)cc1Cl
InChIInChI=1S/C25H15ClFN3/c26-21-15-20(12-13-22(21)27)25-29-23(17-7-2-1-3-8-17)28-24(30-25)19-11-10-16-6-4-5-9-18(16)14-19/h1-15H
InChIKeyZQGASKDVKZAACR-UHFFFAOYSA-N
MW411.87 g/mol
LogP6.82
Rot. Bonds3

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

2-(3-chloro-4-fluorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 162486317) has the molecular formula C25H15ClFN3 and a molecular weight of 411.87 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
PubChem CID162486317
Molecular FormulaC25H15ClFN3
Molecular Weight411.87 g/mol
Exact Mass411.09
IUPAC Name2-(3-chloro-4-fluorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)n2)cc1Cl
InChIInChI=1S/C25H15ClFN3/c26-21-15-20(12-13-22(21)27)25-29-23(17-7-2-1-3-8-17)28-24(30-25)19-11-10-16-6-4-5-9-18(16)14-19/h1-15H
InChIKeyZQGASKDVKZAACR-UHFFFAOYSA-N
XLogP6.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.87
LogP ≤ 56.82
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-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (CID 162486317) is 2-(3-chloro-4-fluorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is Fc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)n2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The InChIKey is ZQGASKDVKZAACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClFN3/c26-21-15-20(12-13-22(21)27)25-29-23(17-7-2-1-3-8-17)28-24(30-25)19-11-10-16-6-4-5-9-18(16)14-19/h1-15H.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
2-(3-chloro-4-fluorophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine has a molecular weight of 411.87 g/mol, XLogP of 6.82, 3 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-naphthalen-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 162486317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).