2-[3-(2,3-dihydronaphthalen-1-yl)-5-fluorophenyl]-4,6-diphenyl-1,3,5-triazine

C31H22FN3 — CID 126592500

IUPAC2-[3-(2,3-dihydronaphthalen-1-yl)-5-fluorophenyl]-4,6-diphenyl-1,3,5-triazine
SMILESFc1cc(C2=c3ccccc3=CCC2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C31H22FN3/c32-26-19-24(28-17-9-15-21-10-7-8-16-27(21)28)18-25(20-26)31-34-29(22-11-3-1-4-12-22)33-30(35-31)23-13-5-2-6-14-23/h1-8,10-16,18-20H,9,17H2
InChIKeyZQJMWGROWTZDML-UHFFFAOYSA-N
MW455.54 g/mol
LogP5.78
Rot. Bonds4

About 2-[3-(2,3-dihydronaphthalen-1-yl)-5-fluorophenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-(2,3-dihydronaphthalen-1-yl)-5-fluorophenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 126592500) has the molecular formula C31H22FN3 and a molecular weight of 455.54 g/mol. Its IUPAC name is 2-[3-(2,3-dihydronaphthalen-1-yl)-5-fluorophenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(2,3-dihydronaphthalen-1-yl)-5-fluorophenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID126592500
Molecular FormulaC31H22FN3
Molecular Weight455.54 g/mol
Exact Mass455.18
IUPAC Name2-[3-(2,3-dihydronaphthalen-1-yl)-5-fluorophenyl]-4,6-diphenyl-1,3,5-triazine
SMILESFc1cc(C2=c3ccccc3=CCC2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C31H22FN3/c32-26-19-24(28-17-9-15-21-10-7-8-16-27(21)28)18-25(20-26)31-34-29(22-11-3-1-4-12-22)33-30(35-31)23-13-5-2-6-14-23/h1-8,10-16,18-20H,9,17H2
InChIKeyZQJMWGROWTZDML-UHFFFAOYSA-N
XLogP5.78
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.54
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-(2,3-dihydronaphthalen-1-yl)-5-fluorophenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydronaphthalen-1-yl)-5-fluorophenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(2,3-dihydronaphthalen-1-yl)-5-fluorophenyl]-4,6-diphenyl-1,3,5-triazine (CID 126592500) is 2-[3-(2,3-dihydronaphthalen-1-yl)-5-fluorophenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(2,3-dihydronaphthalen-1-yl)-5-fluorophenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(2,3-dihydronaphthalen-1-yl)-5-fluorophenyl]-4,6-diphenyl-1,3,5-triazine is Fc1cc(C2=c3ccccc3=CCC2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-[3-(2,3-dihydronaphthalen-1-yl)-5-fluorophenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is ZQJMWGROWTZDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22FN3/c32-26-19-24(28-17-9-15-21-10-7-8-16-27(21)28)18-25(20-26)31-34-29(22-11-3-1-4-12-22)33-30(35-31)23-13-5-2-6-14-23/h1-8,10-16,18-20H,9,17H2.
What are the key properties of 2-[3-(2,3-dihydronaphthalen-1-yl)-5-fluorophenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-(2,3-dihydronaphthalen-1-yl)-5-fluorophenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 455.54 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydronaphthalen-1-yl)-5-fluorophenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 126592500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).