3-[3-[3-bromo-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine

C28H19BrN2 — CID 118448615

IUPAC3-[3-[3-bromo-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
SMILESBrc1cc(-c2cccc(-c3cccnc3)c2)cc(-c2cccc(-c3cccnc3)c2)c1
InChIInChI=1S/C28H19BrN2/c29-28-16-26(22-7-1-5-20(13-22)24-9-3-11-30-18-24)15-27(17-28)23-8-2-6-21(14-23)25-10-4-12-31-19-25/h1-19H
InChIKeyIWJCSVGYAOQRBO-UHFFFAOYSA-N
MW463.38 g/mol
LogP7.91
Rot. Bonds4

About 3-[3-[3-bromo-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine

3-[3-[3-bromo-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine (PubChem CID 118448615) has the molecular formula C28H19BrN2 and a molecular weight of 463.38 g/mol. Its IUPAC name is 3-[3-[3-bromo-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name3-[3-[3-bromo-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
PubChem CID118448615
Molecular FormulaC28H19BrN2
Molecular Weight463.38 g/mol
Exact Mass462.07
IUPAC Name3-[3-[3-bromo-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
SMILESBrc1cc(-c2cccc(-c3cccnc3)c2)cc(-c2cccc(-c3cccnc3)c2)c1
InChIInChI=1S/C28H19BrN2/c29-28-16-26(22-7-1-5-20(13-22)24-9-3-11-30-18-24)15-27(17-28)23-8-2-6-21(14-23)25-10-4-12-31-19-25/h1-19H
InChIKeyIWJCSVGYAOQRBO-UHFFFAOYSA-N
XLogP7.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.38
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-bromo-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The IUPAC name of 3-[3-[3-bromo-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine (CID 118448615) is 3-[3-[3-bromo-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 3-[3-[3-bromo-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The canonical SMILES for 3-[3-[3-bromo-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine is Brc1cc(-c2cccc(-c3cccnc3)c2)cc(-c2cccc(-c3cccnc3)c2)c1.
What is the InChIKey of 3-[3-[3-bromo-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The InChIKey is IWJCSVGYAOQRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19BrN2/c29-28-16-26(22-7-1-5-20(13-22)24-9-3-11-30-18-24)15-27(17-28)23-8-2-6-21(14-23)25-10-4-12-31-19-25/h1-19H.
What are the key properties of 3-[3-[3-bromo-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
3-[3-[3-bromo-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine has a molecular weight of 463.38 g/mol, XLogP of 7.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-bromo-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 118448615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).