4-[3-[3-(3,5-dipyridin-4-ylphenyl)-5-fluorophenyl]-5-pyridin-4-ylphenyl]pyridine

C38H25FN4 — CID 122209952

IUPAC4-[3-[3-(3,5-dipyridin-4-ylphenyl)-5-fluorophenyl]-5-pyridin-4-ylphenyl]pyridine
SMILESFc1cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)c1
InChIInChI=1S/C38H25FN4/c39-38-24-36(34-19-30(26-1-9-40-10-2-26)17-31(20-34)27-3-11-41-12-4-27)23-37(25-38)35-21-32(28-5-13-42-14-6-28)18-33(22-35)29-7-15-43-16-8-29/h1-25H
InChIKeyLZRKYBIBJCIAPQ-UHFFFAOYSA-N
MW556.64 g/mol
LogP9.41
Rot. Bonds6

About 4-[3-[3-(3,5-dipyridin-4-ylphenyl)-5-fluorophenyl]-5-pyridin-4-ylphenyl]pyridine

4-[3-[3-(3,5-dipyridin-4-ylphenyl)-5-fluorophenyl]-5-pyridin-4-ylphenyl]pyridine (PubChem CID 122209952) has the molecular formula C38H25FN4 and a molecular weight of 556.64 g/mol. Its IUPAC name is 4-[3-[3-(3,5-dipyridin-4-ylphenyl)-5-fluorophenyl]-5-pyridin-4-ylphenyl]pyridine.

Molecular Properties

Compound Name4-[3-[3-(3,5-dipyridin-4-ylphenyl)-5-fluorophenyl]-5-pyridin-4-ylphenyl]pyridine
PubChem CID122209952
Molecular FormulaC38H25FN4
Molecular Weight556.64 g/mol
Exact Mass556.21
IUPAC Name4-[3-[3-(3,5-dipyridin-4-ylphenyl)-5-fluorophenyl]-5-pyridin-4-ylphenyl]pyridine
SMILESFc1cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)c1
InChIInChI=1S/C38H25FN4/c39-38-24-36(34-19-30(26-1-9-40-10-2-26)17-31(20-34)27-3-11-41-12-4-27)23-37(25-38)35-21-32(28-5-13-42-14-6-28)18-33(22-35)29-7-15-43-16-8-29/h1-25H
InChIKeyLZRKYBIBJCIAPQ-UHFFFAOYSA-N
XLogP9.41
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.64
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(3,5-dipyridin-4-ylphenyl)-5-fluorophenyl]-5-pyridin-4-ylphenyl]pyridine?
The IUPAC name of 4-[3-[3-(3,5-dipyridin-4-ylphenyl)-5-fluorophenyl]-5-pyridin-4-ylphenyl]pyridine (CID 122209952) is 4-[3-[3-(3,5-dipyridin-4-ylphenyl)-5-fluorophenyl]-5-pyridin-4-ylphenyl]pyridine.
What is the SMILES notation for 4-[3-[3-(3,5-dipyridin-4-ylphenyl)-5-fluorophenyl]-5-pyridin-4-ylphenyl]pyridine?
The canonical SMILES for 4-[3-[3-(3,5-dipyridin-4-ylphenyl)-5-fluorophenyl]-5-pyridin-4-ylphenyl]pyridine is Fc1cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)c1.
What is the InChIKey of 4-[3-[3-(3,5-dipyridin-4-ylphenyl)-5-fluorophenyl]-5-pyridin-4-ylphenyl]pyridine?
The InChIKey is LZRKYBIBJCIAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25FN4/c39-38-24-36(34-19-30(26-1-9-40-10-2-26)17-31(20-34)27-3-11-41-12-4-27)23-37(25-38)35-21-32(28-5-13-42-14-6-28)18-33(22-35)29-7-15-43-16-8-29/h1-25H.
What are the key properties of 4-[3-[3-(3,5-dipyridin-4-ylphenyl)-5-fluorophenyl]-5-pyridin-4-ylphenyl]pyridine?
4-[3-[3-(3,5-dipyridin-4-ylphenyl)-5-fluorophenyl]-5-pyridin-4-ylphenyl]pyridine has a molecular weight of 556.64 g/mol, XLogP of 9.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(3,5-dipyridin-4-ylphenyl)-5-fluorophenyl]-5-pyridin-4-ylphenyl]pyridine is sourced from PubChem (CID 122209952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).