2,4-bis(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]pyridine

C96H64F12N4 — CID 139186378

IUPAC2,4-bis(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]pyridine
SMILESFc1ccccc1Cc1cc(-c2ccccc2F)cc(-c2ccccc2F)n1.Fc1ccccc1Cc1cc(-c2ccccc2F)cc(-c2ccccc2F)n1.Fc1ccccc1Cc1cc(-c2ccccc2F)cc(-c2ccccc2F)n1.Fc1ccccc1Cc1cc(-c2ccccc2F)cc(-c2ccccc2F)n1
InChIInChI=1S/4C24H16F3N/c4*25-21-10-4-1-7-16(21)13-18-14-17(19-8-2-5-11-22(19)26)15-24(28-18)20-9-3-6-12-23(20)27/h4*1-12,14-15H,13H2
InChIKeyUTUQNXISALOAOI-UHFFFAOYSA-N
MW1501.57 g/mol
LogP25.69
Rot. Bonds16

About 2,4-bis(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]pyridine

2,4-bis(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]pyridine (PubChem CID 139186378) has the molecular formula C96H64F12N4 and a molecular weight of 1501.57 g/mol. Its IUPAC name is 2,4-bis(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]pyridine.

Molecular Properties

Compound Name2,4-bis(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]pyridine
PubChem CID139186378
Molecular FormulaC96H64F12N4
Molecular Weight1501.57 g/mol
Exact Mass1500.49
IUPAC Name2,4-bis(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]pyridine
SMILESFc1ccccc1Cc1cc(-c2ccccc2F)cc(-c2ccccc2F)n1.Fc1ccccc1Cc1cc(-c2ccccc2F)cc(-c2ccccc2F)n1.Fc1ccccc1Cc1cc(-c2ccccc2F)cc(-c2ccccc2F)n1.Fc1ccccc1Cc1cc(-c2ccccc2F)cc(-c2ccccc2F)n1
InChIInChI=1S/4C24H16F3N/c4*25-21-10-4-1-7-16(21)13-18-14-17(19-8-2-5-11-22(19)26)15-24(28-18)20-9-3-6-12-23(20)27/h4*1-12,14-15H,13H2
InChIKeyUTUQNXISALOAOI-UHFFFAOYSA-N
XLogP25.69
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001501.57
LogP ≤ 525.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]pyridine?
The IUPAC name of 2,4-bis(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]pyridine (CID 139186378) is 2,4-bis(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]pyridine.
What is the SMILES notation for 2,4-bis(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]pyridine?
The canonical SMILES for 2,4-bis(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]pyridine is Fc1ccccc1Cc1cc(-c2ccccc2F)cc(-c2ccccc2F)n1.Fc1ccccc1Cc1cc(-c2ccccc2F)cc(-c2ccccc2F)n1.Fc1ccccc1Cc1cc(-c2ccccc2F)cc(-c2ccccc2F)n1.Fc1ccccc1Cc1cc(-c2ccccc2F)cc(-c2ccccc2F)n1.
What is the InChIKey of 2,4-bis(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]pyridine?
The InChIKey is UTUQNXISALOAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C24H16F3N/c4*25-21-10-4-1-7-16(21)13-18-14-17(19-8-2-5-11-22(19)26)15-24(28-18)20-9-3-6-12-23(20)27/h4*1-12,14-15H,13H2.
What are the key properties of 2,4-bis(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]pyridine?
2,4-bis(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]pyridine has a molecular weight of 1501.57 g/mol, XLogP of 25.69, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-fluorophenyl)-6-[(2-fluorophenyl)methyl]pyridine is sourced from PubChem (CID 139186378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).