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

C44H30N4 — CID 71534257

IUPAC2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine
SMILESc1ccc(-c2cc(-c3ccccn3)cc(-c3ccccc3-c3ccccc3-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)c2)nc1
InChIInChI=1S/C44H30N4/c1-3-15-39(37(13-1)31-25-33(41-17-5-9-21-45-41)29-34(26-31)42-18-6-10-22-46-42)40-16-4-2-14-38(40)32-27-35(43-19-7-11-23-47-43)30-36(28-32)44-20-8-12-24-48-44/h1-30H
InChIKeyVFVPKZRHHLPPIX-UHFFFAOYSA-N
MW614.75 g/mol
LogP10.94
Rot. Bonds7

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

2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine (PubChem CID 71534257) has the molecular formula C44H30N4 and a molecular weight of 614.75 g/mol. Its IUPAC name is 2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine.

Molecular Properties

Compound Name2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine
PubChem CID71534257
Molecular FormulaC44H30N4
Molecular Weight614.75 g/mol
Exact Mass614.25
IUPAC Name2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine
SMILESc1ccc(-c2cc(-c3ccccn3)cc(-c3ccccc3-c3ccccc3-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)c2)nc1
InChIInChI=1S/C44H30N4/c1-3-15-39(37(13-1)31-25-33(41-17-5-9-21-45-41)29-34(26-31)42-18-6-10-22-46-42)40-16-4-2-14-38(40)32-27-35(43-19-7-11-23-47-43)30-36(28-32)44-20-8-12-24-48-44/h1-30H
InChIKeyVFVPKZRHHLPPIX-UHFFFAOYSA-N
XLogP10.94
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine?
The IUPAC name of 2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine (CID 71534257) is 2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine.
What is the SMILES notation for 2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine?
The canonical SMILES for 2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine is c1ccc(-c2cc(-c3ccccn3)cc(-c3ccccc3-c3ccccc3-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)c2)nc1.
What is the InChIKey of 2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine?
The InChIKey is VFVPKZRHHLPPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4/c1-3-15-39(37(13-1)31-25-33(41-17-5-9-21-45-41)29-34(26-31)42-18-6-10-22-46-42)40-16-4-2-14-38(40)32-27-35(43-19-7-11-23-47-43)30-36(28-32)44-20-8-12-24-48-44/h1-30H.
What are the key properties of 2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine?
2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine has a molecular weight of 614.75 g/mol, XLogP of 10.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine is sourced from PubChem (CID 71534257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).