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

C38H26N4 — CID 11981801

IUPAC2-[3-[3-(3,5-dipyridin-2-ylphenyl)phenyl]-5-pyridin-2-ylphenyl]pyridine
SMILESc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)c3)cc(-c3ccccn3)c2)nc1
InChIInChI=1S/C38H26N4/c1-5-16-39-35(12-1)31-21-29(22-32(25-31)36-13-2-6-17-40-36)27-10-9-11-28(20-27)30-23-33(37-14-3-7-18-41-37)26-34(24-30)38-15-4-8-19-42-38/h1-26H
InChIKeyTVGYTMRZPJRPLI-UHFFFAOYSA-N
MW538.65 g/mol
LogP9.27
Rot. Bonds6

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

2-[3-[3-(3,5-dipyridin-2-ylphenyl)phenyl]-5-pyridin-2-ylphenyl]pyridine (PubChem CID 11981801) has the molecular formula C38H26N4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 2-[3-[3-(3,5-dipyridin-2-ylphenyl)phenyl]-5-pyridin-2-ylphenyl]pyridine.

Molecular Properties

Compound Name2-[3-[3-(3,5-dipyridin-2-ylphenyl)phenyl]-5-pyridin-2-ylphenyl]pyridine
PubChem CID11981801
Molecular FormulaC38H26N4
Molecular Weight538.65 g/mol
Exact Mass538.22
IUPAC Name2-[3-[3-(3,5-dipyridin-2-ylphenyl)phenyl]-5-pyridin-2-ylphenyl]pyridine
SMILESc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)c3)cc(-c3ccccn3)c2)nc1
InChIInChI=1S/C38H26N4/c1-5-16-39-35(12-1)31-21-29(22-32(25-31)36-13-2-6-17-40-36)27-10-9-11-28(20-27)30-23-33(37-14-3-7-18-41-37)26-34(24-30)38-15-4-8-19-42-38/h1-26H
InChIKeyTVGYTMRZPJRPLI-UHFFFAOYSA-N
XLogP9.27
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3,5-dipyridin-2-ylphenyl)phenyl]-5-pyridin-2-ylphenyl]pyridine?
The IUPAC name of 2-[3-[3-(3,5-dipyridin-2-ylphenyl)phenyl]-5-pyridin-2-ylphenyl]pyridine (CID 11981801) is 2-[3-[3-(3,5-dipyridin-2-ylphenyl)phenyl]-5-pyridin-2-ylphenyl]pyridine.
What is the SMILES notation for 2-[3-[3-(3,5-dipyridin-2-ylphenyl)phenyl]-5-pyridin-2-ylphenyl]pyridine?
The canonical SMILES for 2-[3-[3-(3,5-dipyridin-2-ylphenyl)phenyl]-5-pyridin-2-ylphenyl]pyridine is c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)c3)cc(-c3ccccn3)c2)nc1.
What is the InChIKey of 2-[3-[3-(3,5-dipyridin-2-ylphenyl)phenyl]-5-pyridin-2-ylphenyl]pyridine?
The InChIKey is TVGYTMRZPJRPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4/c1-5-16-39-35(12-1)31-21-29(22-32(25-31)36-13-2-6-17-40-36)27-10-9-11-28(20-27)30-23-33(37-14-3-7-18-41-37)26-34(24-30)38-15-4-8-19-42-38/h1-26H.
What are the key properties of 2-[3-[3-(3,5-dipyridin-2-ylphenyl)phenyl]-5-pyridin-2-ylphenyl]pyridine?
2-[3-[3-(3,5-dipyridin-2-ylphenyl)phenyl]-5-pyridin-2-ylphenyl]pyridine has a molecular weight of 538.65 g/mol, XLogP of 9.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3,5-dipyridin-2-ylphenyl)phenyl]-5-pyridin-2-ylphenyl]pyridine is sourced from PubChem (CID 11981801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).