2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine

C58H41N3O — CID 142438981

IUPAC2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine
SMILESCOc1cc(-c2ccccn2)ccc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2)cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2)c1
InChIInChI=1S/C58H41N3O/c1-62-58-39-44(57-22-10-13-35-61-57)31-32-54(58)53-19-7-6-18-52(53)47-37-45(50-16-4-2-14-48(50)40-23-27-42(28-24-40)55-20-8-11-33-59-55)36-46(38-47)51-17-5-3-15-49(51)41-25-29-43(30-26-41)56-21-9-12-34-60-56/h2-39H,1H3
InChIKeyYDCKCMYPBAEKTH-UHFFFAOYSA-N
MW795.99 g/mol
LogP14.88
Rot. Bonds10

About 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine

2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine (PubChem CID 142438981) has the molecular formula C58H41N3O and a molecular weight of 795.99 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine
PubChem CID142438981
Molecular FormulaC58H41N3O
Molecular Weight795.99 g/mol
Exact Mass795.32
IUPAC Name2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine
SMILESCOc1cc(-c2ccccn2)ccc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2)cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2)c1
InChIInChI=1S/C58H41N3O/c1-62-58-39-44(57-22-10-13-35-61-57)31-32-54(58)53-19-7-6-18-52(53)47-37-45(50-16-4-2-14-48(50)40-23-27-42(28-24-40)55-20-8-11-33-59-55)36-46(38-47)51-17-5-3-15-49(51)41-25-29-43(30-26-41)56-21-9-12-34-60-56/h2-39H,1H3
InChIKeyYDCKCMYPBAEKTH-UHFFFAOYSA-N
XLogP14.88
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.99
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methoxyphenyl]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-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine
CID 166806235
2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-pyridin-2-ylphenoxy]-6-pyridin-2-ylpyridine
CID 156674137
2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 71534257
4,6-bis[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 134313268
[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-trimethylsilane;methane
CID 161355015
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine
CID 148872624
2-[4-[2-[3,5-bis[5-fluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine
CID 153458373
2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-(5-methyl-2-pyridinyl)phenol
CID 166806244
2-[4-[2-[3-chloro-5-[4,5-dimethyl-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine
CID 134313361
2-[3-phenyl-4-[2-[3-[2-[2-phenyl-4-[4-phenyl-3-(trideuteriomethyl)phenyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 156621495
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 122487708

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine (CID 142438981) is 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine is COc1cc(-c2ccccn2)ccc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2)cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2)c1.
What is the InChIKey of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine?
The InChIKey is YDCKCMYPBAEKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N3O/c1-62-58-39-44(57-22-10-13-35-61-57)31-32-54(58)53-19-7-6-18-52(53)47-37-45(50-16-4-2-14-48(50)40-23-27-42(28-24-40)55-20-8-11-33-59-55)36-46(38-47)51-17-5-3-15-49(51)41-25-29-43(30-26-41)56-21-9-12-34-60-56/h2-39H,1H3.
What are the key properties of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine?
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine has a molecular weight of 795.99 g/mol, XLogP of 14.88, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine is sourced from PubChem (CID 142438981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).