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

C39H28N4 — CID 58556429

IUPAC2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
SMILESCc1cc(-c2cc(-c3ccccn3)cc(-c3ccccn3)c2)cc(-c2cc(-c3ccccn3)cc(-c3ccccn3)c2)c1
InChIInChI=1S/C39H28N4/c1-27-18-28(30-21-32(36-10-2-6-14-40-36)25-33(22-30)37-11-3-7-15-41-37)20-29(19-27)31-23-34(38-12-4-8-16-42-38)26-35(24-31)39-13-5-9-17-43-39/h2-26H,1H3
InChIKeyZUSQNFRTUKEEAK-UHFFFAOYSA-N
MW552.68 g/mol
LogP9.58
Rot. Bonds6

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

2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine (PubChem CID 58556429) has the molecular formula C39H28N4 and a molecular weight of 552.68 g/mol. Its IUPAC name is 2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine.

Molecular Properties

Compound Name2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
PubChem CID58556429
Molecular FormulaC39H28N4
Molecular Weight552.68 g/mol
Exact Mass552.23
IUPAC Name2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
SMILESCc1cc(-c2cc(-c3ccccn3)cc(-c3ccccn3)c2)cc(-c2cc(-c3ccccn3)cc(-c3ccccn3)c2)c1
InChIInChI=1S/C39H28N4/c1-27-18-28(30-21-32(36-10-2-6-14-40-36)25-33(22-30)37-11-3-7-15-41-37)20-29(19-27)31-23-34(38-12-4-8-16-42-38)26-35(24-31)39-13-5-9-17-43-39/h2-26H,1H3
InChIKeyZUSQNFRTUKEEAK-UHFFFAOYSA-N
XLogP9.58
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.68
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-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

Related Compounds

2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine
CID 123620977
2-(3-methyl-5-pyridin-2-ylphenyl)pyrazine
CID 144553934
3-methyl-N-(3-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylaniline
CID 90070790
bis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium
CID 157164655
1-methyl-2-(3-methyl-5-pyridin-2-ylphenyl)pyridin-1-ium
CID 145489374
2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine
CID 153429686
2-(4-methylphenyl)pyridine;silver
CID 121395993
2-[3-(7-methyltriphenylen-2-yl)-5-pyridin-2-ylphenyl]pyridine
CID 145180167
4-(3,5-dipyridin-2-ylphenyl)-2,6-bis(4-pyridin-2-ylphenyl)pyridine
CID 118582537
2-[3-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine
CID 142562263
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 71534257

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine?
The IUPAC name of 2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine (CID 58556429) is 2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine.
What is the SMILES notation for 2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine?
The canonical SMILES for 2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine is Cc1cc(-c2cc(-c3ccccn3)cc(-c3ccccn3)c2)cc(-c2cc(-c3ccccn3)cc(-c3ccccn3)c2)c1.
What is the InChIKey of 2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine?
The InChIKey is ZUSQNFRTUKEEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N4/c1-27-18-28(30-21-32(36-10-2-6-14-40-36)25-33(22-30)37-11-3-7-15-41-37)20-29(19-27)31-23-34(38-12-4-8-16-42-38)26-35(24-31)39-13-5-9-17-43-39/h2-26H,1H3.
What are the key properties of 2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine?
2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine has a molecular weight of 552.68 g/mol, XLogP of 9.58, 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)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine is sourced from PubChem (CID 58556429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).