3-(7-pyridin-2-yldibenzothiophen-2-yl)-5-[2-(3-pyridin-2-ylphenyl)phenyl]pyridine

C39H25N3S — CID 140814604

IUPAC3-(7-pyridin-2-yldibenzothiophen-2-yl)-5-[2-(3-pyridin-2-ylphenyl)phenyl]pyridine
SMILESc1ccc(-c2cccc(-c3ccccc3-c3cncc(-c4ccc5sc6cc(-c7ccccn7)ccc6c5c4)c3)c2)nc1
InChIInChI=1S/C39H25N3S/c1-2-11-33(32(10-1)27-8-7-9-28(20-27)36-12-3-5-18-41-36)31-21-30(24-40-25-31)26-15-17-38-35(22-26)34-16-14-29(23-39(34)43-38)37-13-4-6-19-42-37/h1-25H
InChIKeyJYMQNNDRBGFFLA-UHFFFAOYSA-N
MW567.72 g/mol
LogP10.57
Rot. Bonds5

About 3-(7-pyridin-2-yldibenzothiophen-2-yl)-5-[2-(3-pyridin-2-ylphenyl)phenyl]pyridine

3-(7-pyridin-2-yldibenzothiophen-2-yl)-5-[2-(3-pyridin-2-ylphenyl)phenyl]pyridine (PubChem CID 140814604) has the molecular formula C39H25N3S and a molecular weight of 567.72 g/mol. Its IUPAC name is 3-(7-pyridin-2-yldibenzothiophen-2-yl)-5-[2-(3-pyridin-2-ylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name3-(7-pyridin-2-yldibenzothiophen-2-yl)-5-[2-(3-pyridin-2-ylphenyl)phenyl]pyridine
PubChem CID140814604
Molecular FormulaC39H25N3S
Molecular Weight567.72 g/mol
Exact Mass567.18
IUPAC Name3-(7-pyridin-2-yldibenzothiophen-2-yl)-5-[2-(3-pyridin-2-ylphenyl)phenyl]pyridine
SMILESc1ccc(-c2cccc(-c3ccccc3-c3cncc(-c4ccc5sc6cc(-c7ccccn7)ccc6c5c4)c3)c2)nc1
InChIInChI=1S/C39H25N3S/c1-2-11-33(32(10-1)27-8-7-9-28(20-27)36-12-3-5-18-41-36)31-21-30(24-40-25-31)26-15-17-38-35(22-26)34-16-14-29(23-39(34)43-38)37-13-4-6-19-42-37/h1-25H
InChIKeyJYMQNNDRBGFFLA-UHFFFAOYSA-N
XLogP10.57
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.72
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(7-pyridin-2-yldibenzothiophen-2-yl)-5-[2-(3-pyridin-2-ylphenyl)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-[7-(4-fluorophenyl)dibenzothiophen-2-yl]pyridine
CID 166576691
4-[4-(7-dibenzothiophen-4-ylphenanthren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[6-(3-dibenzothiophen-2-ylphenyl)naphthalen-2-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;2-(4-dibenzothiophen-2-ylphenyl)-4-(3-phenylphenyl)-6-pyridin-2-ylpyrimidine;4-[4-(5-dibenzothiophen-2-yl-3-pyridinyl)phenyl]-2,6-diphenylpyrimidine
CID 159738923
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 130263179
4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine
CID 166574154
4-dibenzothiophen-2-yl-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 130262859
4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline
CID 90076336
4-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline
CID 90076240
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine
CID 118014153
8-(5-phenyl-3-pyridinyl)-5-[8-[8-(5-phenyl-3-pyridinyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;8-(3-pyridin-2-ylphenyl)-5-[8-[8-(3-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;8-(3-pyridin-3-ylphenyl)-5-[8-[8-(3-pyridin-3-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;8-(3-pyridin-4-ylphenyl)-5-[8-[8-(3-pyridin-4-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzothiophen-2-yl]pyrido[3,2-b]indole
CID 160864468
2-[4-[2-[3,5-bis(2-phenylphenyl)phenyl]phenyl]phenyl]-4-dibenzothiophen-3-ylpyridine
CID 167362982
2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 153435461

Frequently Asked Questions

What is the IUPAC name of 3-(7-pyridin-2-yldibenzothiophen-2-yl)-5-[2-(3-pyridin-2-ylphenyl)phenyl]pyridine?
The IUPAC name of 3-(7-pyridin-2-yldibenzothiophen-2-yl)-5-[2-(3-pyridin-2-ylphenyl)phenyl]pyridine (CID 140814604) is 3-(7-pyridin-2-yldibenzothiophen-2-yl)-5-[2-(3-pyridin-2-ylphenyl)phenyl]pyridine.
What is the SMILES notation for 3-(7-pyridin-2-yldibenzothiophen-2-yl)-5-[2-(3-pyridin-2-ylphenyl)phenyl]pyridine?
The canonical SMILES for 3-(7-pyridin-2-yldibenzothiophen-2-yl)-5-[2-(3-pyridin-2-ylphenyl)phenyl]pyridine is c1ccc(-c2cccc(-c3ccccc3-c3cncc(-c4ccc5sc6cc(-c7ccccn7)ccc6c5c4)c3)c2)nc1.
What is the InChIKey of 3-(7-pyridin-2-yldibenzothiophen-2-yl)-5-[2-(3-pyridin-2-ylphenyl)phenyl]pyridine?
The InChIKey is JYMQNNDRBGFFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3S/c1-2-11-33(32(10-1)27-8-7-9-28(20-27)36-12-3-5-18-41-36)31-21-30(24-40-25-31)26-15-17-38-35(22-26)34-16-14-29(23-39(34)43-38)37-13-4-6-19-42-37/h1-25H.
What are the key properties of 3-(7-pyridin-2-yldibenzothiophen-2-yl)-5-[2-(3-pyridin-2-ylphenyl)phenyl]pyridine?
3-(7-pyridin-2-yldibenzothiophen-2-yl)-5-[2-(3-pyridin-2-ylphenyl)phenyl]pyridine has a molecular weight of 567.72 g/mol, XLogP of 10.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-pyridin-2-yldibenzothiophen-2-yl)-5-[2-(3-pyridin-2-ylphenyl)phenyl]pyridine is sourced from PubChem (CID 140814604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).