2,4,6-tris(4-fluorophenyl)-3,5-diphenylpyridine

C35H22F3N — CID 71436131

IUPAC2,4,6-tris(4-fluorophenyl)-3,5-diphenylpyridine
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccccc3)c(-c3ccc(F)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C35H22F3N/c36-28-17-11-25(12-18-28)31-32(23-7-3-1-4-8-23)34(26-13-19-29(37)20-14-26)39-35(27-15-21-30(38)22-16-27)33(31)24-9-5-2-6-10-24/h1-22H
InChIKeyRAYVRARIMMUQCJ-UHFFFAOYSA-N
MW513.56 g/mol
LogP9.83
Rot. Bonds5

About 2,4,6-tris(4-fluorophenyl)-3,5-diphenylpyridine

2,4,6-tris(4-fluorophenyl)-3,5-diphenylpyridine (PubChem CID 71436131) has the molecular formula C35H22F3N and a molecular weight of 513.56 g/mol. Its IUPAC name is 2,4,6-tris(4-fluorophenyl)-3,5-diphenylpyridine.

Molecular Properties

Compound Name2,4,6-tris(4-fluorophenyl)-3,5-diphenylpyridine
PubChem CID71436131
Molecular FormulaC35H22F3N
Molecular Weight513.56 g/mol
Exact Mass513.17
IUPAC Name2,4,6-tris(4-fluorophenyl)-3,5-diphenylpyridine
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccccc3)c(-c3ccc(F)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C35H22F3N/c36-28-17-11-25(12-18-28)31-32(23-7-3-1-4-8-23)34(26-13-19-29(37)20-14-26)39-35(27-15-21-30(38)22-16-27)33(31)24-9-5-2-6-10-24/h1-22H
InChIKeyRAYVRARIMMUQCJ-UHFFFAOYSA-N
XLogP9.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.56
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,4,6-tris(4-fluorophenyl)-3,5-diphenylpyridine 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 2,4,6-tris(4-fluorophenyl)-3,5-diphenylpyridine?
The IUPAC name of 2,4,6-tris(4-fluorophenyl)-3,5-diphenylpyridine (CID 71436131) is 2,4,6-tris(4-fluorophenyl)-3,5-diphenylpyridine.
What is the SMILES notation for 2,4,6-tris(4-fluorophenyl)-3,5-diphenylpyridine?
The canonical SMILES for 2,4,6-tris(4-fluorophenyl)-3,5-diphenylpyridine is Fc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccccc3)c(-c3ccc(F)cc3)c2-c2ccccc2)cc1.
What is the InChIKey of 2,4,6-tris(4-fluorophenyl)-3,5-diphenylpyridine?
The InChIKey is RAYVRARIMMUQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22F3N/c36-28-17-11-25(12-18-28)31-32(23-7-3-1-4-8-23)34(26-13-19-29(37)20-14-26)39-35(27-15-21-30(38)22-16-27)33(31)24-9-5-2-6-10-24/h1-22H.
What are the key properties of 2,4,6-tris(4-fluorophenyl)-3,5-diphenylpyridine?
2,4,6-tris(4-fluorophenyl)-3,5-diphenylpyridine has a molecular weight of 513.56 g/mol, XLogP of 9.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(4-fluorophenyl)-3,5-diphenylpyridine is sourced from PubChem (CID 71436131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).