2-(2,4-difluorophenyl)-5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]pyridine

C32H24F4N2 — CID 90067146

IUPAC2-(2,4-difluorophenyl)-5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]pyridine
SMILESFc1ccc(-c2ccc(CCc3cccc(CCc4ccc(-c5ccc(F)cc5F)nc4)c3)cn2)c(F)c1
InChIInChI=1S/C32H24F4N2/c33-25-10-12-27(29(35)17-25)31-14-8-23(19-37-31)6-4-21-2-1-3-22(16-21)5-7-24-9-15-32(38-20-24)28-13-11-26(34)18-30(28)36/h1-3,8-20H,4-7H2
InChIKeyRYQGIXBTAODCPA-UHFFFAOYSA-N
MW512.55 g/mol
LogP7.94
Rot. Bonds8

About 2-(2,4-difluorophenyl)-5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]pyridine

2-(2,4-difluorophenyl)-5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]pyridine (PubChem CID 90067146) has the molecular formula C32H24F4N2 and a molecular weight of 512.55 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]pyridine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]pyridine
PubChem CID90067146
Molecular FormulaC32H24F4N2
Molecular Weight512.55 g/mol
Exact Mass512.19
IUPAC Name2-(2,4-difluorophenyl)-5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]pyridine
SMILESFc1ccc(-c2ccc(CCc3cccc(CCc4ccc(-c5ccc(F)cc5F)nc4)c3)cn2)c(F)c1
InChIInChI=1S/C32H24F4N2/c33-25-10-12-27(29(35)17-25)31-14-8-23(19-37-31)6-4-21-2-1-3-22(16-21)5-7-24-9-15-32(38-20-24)28-13-11-26(34)18-30(28)36/h1-3,8-20H,4-7H2
InChIKeyRYQGIXBTAODCPA-UHFFFAOYSA-N
XLogP7.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.55
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]pyridine?
The IUPAC name of 2-(2,4-difluorophenyl)-5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]pyridine (CID 90067146) is 2-(2,4-difluorophenyl)-5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]pyridine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]pyridine?
The canonical SMILES for 2-(2,4-difluorophenyl)-5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]pyridine is Fc1ccc(-c2ccc(CCc3cccc(CCc4ccc(-c5ccc(F)cc5F)nc4)c3)cn2)c(F)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]pyridine?
The InChIKey is RYQGIXBTAODCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24F4N2/c33-25-10-12-27(29(35)17-25)31-14-8-23(19-37-31)6-4-21-2-1-3-22(16-21)5-7-24-9-15-32(38-20-24)28-13-11-26(34)18-30(28)36/h1-3,8-20H,4-7H2.
What are the key properties of 2-(2,4-difluorophenyl)-5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]pyridine?
2-(2,4-difluorophenyl)-5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]pyridine has a molecular weight of 512.55 g/mol, XLogP of 7.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]pyridine is sourced from PubChem (CID 90067146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).