5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]-2-(fluoromethyl)pyridine

C39H27FN4 — CID 118041844

IUPAC5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]-2-(fluoromethyl)pyridine
SMILESFCc1ccc(-c2cc(-c3cccnc3)cc(-c3cccc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)c3)c2)cn1
InChIInChI=1S/C39H27FN4/c40-22-39-11-10-32(26-44-39)38-19-34(18-37(21-38)31-9-4-14-43-25-31)28-6-1-5-27(15-28)33-16-35(29-7-2-12-41-23-29)20-36(17-33)30-8-3-13-42-24-30/h1-21,23-26H,22H2
InChIKeyGLLSTTLHTDLNNC-UHFFFAOYSA-N
MW570.67 g/mol
LogP9.74
Rot. Bonds7

About 5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]-2-(fluoromethyl)pyridine

5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]-2-(fluoromethyl)pyridine (PubChem CID 118041844) has the molecular formula C39H27FN4 and a molecular weight of 570.67 g/mol. Its IUPAC name is 5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]-2-(fluoromethyl)pyridine.

Molecular Properties

Compound Name5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]-2-(fluoromethyl)pyridine
PubChem CID118041844
Molecular FormulaC39H27FN4
Molecular Weight570.67 g/mol
Exact Mass570.22
IUPAC Name5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]-2-(fluoromethyl)pyridine
SMILESFCc1ccc(-c2cc(-c3cccnc3)cc(-c3cccc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)c3)c2)cn1
InChIInChI=1S/C39H27FN4/c40-22-39-11-10-32(26-44-39)38-19-34(18-37(21-38)31-9-4-14-43-25-31)28-6-1-5-27(15-28)33-16-35(29-7-2-12-41-23-29)20-36(17-33)30-8-3-13-42-24-30/h1-21,23-26H,22H2
InChIKeyGLLSTTLHTDLNNC-UHFFFAOYSA-N
XLogP9.74
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.67
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]-2-(fluoromethyl)pyridine?
The IUPAC name of 5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]-2-(fluoromethyl)pyridine (CID 118041844) is 5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]-2-(fluoromethyl)pyridine.
What is the SMILES notation for 5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]-2-(fluoromethyl)pyridine?
The canonical SMILES for 5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]-2-(fluoromethyl)pyridine is FCc1ccc(-c2cc(-c3cccnc3)cc(-c3cccc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)c3)c2)cn1.
What is the InChIKey of 5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]-2-(fluoromethyl)pyridine?
The InChIKey is GLLSTTLHTDLNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27FN4/c40-22-39-11-10-32(26-44-39)38-19-34(18-37(21-38)31-9-4-14-43-25-31)28-6-1-5-27(15-28)33-16-35(29-7-2-12-41-23-29)20-36(17-33)30-8-3-13-42-24-30/h1-21,23-26H,22H2.
What are the key properties of 5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]-2-(fluoromethyl)pyridine?
5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]-2-(fluoromethyl)pyridine has a molecular weight of 570.67 g/mol, XLogP of 9.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]-2-(fluoromethyl)pyridine is sourced from PubChem (CID 118041844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).