2-[4-[3-[9-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyridine

C40H26N2O — CID 140814590

IUPAC2-[4-[3-[9-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccc5oc6cccc(-c7cccc(-c8ccccn8)c7)c6c5c4)c3)cc2)nc1
InChIInChI=1S/C40H26N2O/c1-3-22-41-36(13-1)28-18-16-27(17-19-28)29-8-5-9-30(24-29)31-20-21-38-35(26-31)40-34(12-7-15-39(40)43-38)32-10-6-11-33(25-32)37-14-2-4-23-42-37/h1-26H
InChIKeyGCMXMFWMHKANKX-UHFFFAOYSA-N
MW550.66 g/mol
LogP10.71
Rot. Bonds5

About 2-[4-[3-[9-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyridine

2-[4-[3-[9-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyridine (PubChem CID 140814590) has the molecular formula C40H26N2O and a molecular weight of 550.66 g/mol. Its IUPAC name is 2-[4-[3-[9-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[4-[3-[9-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyridine
PubChem CID140814590
Molecular FormulaC40H26N2O
Molecular Weight550.66 g/mol
Exact Mass550.20
IUPAC Name2-[4-[3-[9-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccc5oc6cccc(-c7cccc(-c8ccccn8)c7)c6c5c4)c3)cc2)nc1
InChIInChI=1S/C40H26N2O/c1-3-22-41-36(13-1)28-18-16-27(17-19-28)29-8-5-9-30(24-29)31-20-21-38-35(26-31)40-34(12-7-15-39(40)43-38)32-10-6-11-33(25-32)37-14-2-4-23-42-37/h1-26H
InChIKeyGCMXMFWMHKANKX-UHFFFAOYSA-N
XLogP10.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.66
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[3-[9-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]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-dibenzofuran-4-yl-4-phenyl-6-[8-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142353224
2-[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]pyridine
CID 153423338
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130262495
2,4-diphenyl-6-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166565518
2-phenyl-4-(3-phenylphenyl)-6-[9-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166952469
2-[4-(6-dibenzofuran-2-ylnaphthalen-2-yl)phenyl]pyridine
CID 171056233
2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142353221
4-[9-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-2,6-dipyridin-2-ylpyridine
CID 147120675
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-(3,5-dipyridin-2-ylphenyl)-2-phenylpyrimidine
CID 171585229
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine
CID 130262665
2,4-diphenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]pyridine
CID 134198825
4-(4-dibenzofuran-2-ylphenyl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine
CID 130262632

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[9-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyridine?
The IUPAC name of 2-[4-[3-[9-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyridine (CID 140814590) is 2-[4-[3-[9-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyridine.
What is the SMILES notation for 2-[4-[3-[9-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyridine?
The canonical SMILES for 2-[4-[3-[9-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyridine is c1ccc(-c2ccc(-c3cccc(-c4ccc5oc6cccc(-c7cccc(-c8ccccn8)c7)c6c5c4)c3)cc2)nc1.
What is the InChIKey of 2-[4-[3-[9-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyridine?
The InChIKey is GCMXMFWMHKANKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2O/c1-3-22-41-36(13-1)28-18-16-27(17-19-28)29-8-5-9-30(24-29)31-20-21-38-35(26-31)40-34(12-7-15-39(40)43-38)32-10-6-11-33(25-32)37-14-2-4-23-42-37/h1-26H.
What are the key properties of 2-[4-[3-[9-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyridine?
2-[4-[3-[9-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyridine has a molecular weight of 550.66 g/mol, XLogP of 10.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[9-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyridine is sourced from PubChem (CID 140814590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).