3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine

C32H24N4 — CID 158129947

IUPAC3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine
SMILESc1cc(-c2ccncc2)cc(-c2ccncc2)c1.c1cncc(-c2cccc(-c3cccnc3)c2)c1
InChIInChI=1S/2C16H12N2/c1-4-13(15-6-2-8-17-11-15)10-14(5-1)16-7-3-9-18-12-16;1-2-15(13-4-8-17-9-5-13)12-16(3-1)14-6-10-18-11-7-14/h2*1-12H
InChIKeyFSQNLNAHRAWRCB-UHFFFAOYSA-N
MW464.57 g/mol
LogP7.62
Rot. Bonds4

About 3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine

3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine (PubChem CID 158129947) has the molecular formula C32H24N4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine.

Molecular Properties

Compound Name3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine
PubChem CID158129947
Molecular FormulaC32H24N4
Molecular Weight464.57 g/mol
Exact Mass464.20
IUPAC Name3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine
SMILESc1cc(-c2ccncc2)cc(-c2ccncc2)c1.c1cncc(-c2cccc(-c3cccnc3)c2)c1
InChIInChI=1S/2C16H12N2/c1-4-13(15-6-2-8-17-11-15)10-14(5-1)16-7-3-9-18-12-16;1-2-15(13-4-8-17-9-5-13)12-16(3-1)14-6-10-18-11-7-14/h2*1-12H
InChIKeyFSQNLNAHRAWRCB-UHFFFAOYSA-N
XLogP7.62
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine?
The IUPAC name of 3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine (CID 158129947) is 3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine.
What is the SMILES notation for 3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine?
The canonical SMILES for 3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine is c1cc(-c2ccncc2)cc(-c2ccncc2)c1.c1cncc(-c2cccc(-c3cccnc3)c2)c1.
What is the InChIKey of 3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine?
The InChIKey is FSQNLNAHRAWRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H12N2/c1-4-13(15-6-2-8-17-11-15)10-14(5-1)16-7-3-9-18-12-16;1-2-15(13-4-8-17-9-5-13)12-16(3-1)14-6-10-18-11-7-14/h2*1-12H.
What are the key properties of 3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine?
3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine has a molecular weight of 464.57 g/mol, XLogP of 7.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine is sourced from PubChem (CID 158129947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).