2-(1,3-dioxolan-2-yl)-6-(3,5-diphenylphenyl)pyridine

C26H21NO2 — CID 169180721

IUPAC2-(1,3-dioxolan-2-yl)-6-(3,5-diphenylphenyl)pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(C4OCCO4)n3)c2)cc1
InChIInChI=1S/C26H21NO2/c1-3-8-19(9-4-1)21-16-22(20-10-5-2-6-11-20)18-23(17-21)24-12-7-13-25(27-24)26-28-14-15-29-26/h1-13,16-18,26H,14-15H2
InChIKeyIVGFURNBJSWOMY-UHFFFAOYSA-N
MW379.46 g/mol
LogP6.13
Rot. Bonds4

About 2-(1,3-dioxolan-2-yl)-6-(3,5-diphenylphenyl)pyridine

2-(1,3-dioxolan-2-yl)-6-(3,5-diphenylphenyl)pyridine (PubChem CID 169180721) has the molecular formula C26H21NO2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-6-(3,5-diphenylphenyl)pyridine.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-6-(3,5-diphenylphenyl)pyridine
PubChem CID169180721
Molecular FormulaC26H21NO2
Molecular Weight379.46 g/mol
Exact Mass379.16
IUPAC Name2-(1,3-dioxolan-2-yl)-6-(3,5-diphenylphenyl)pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(C4OCCO4)n3)c2)cc1
InChIInChI=1S/C26H21NO2/c1-3-8-19(9-4-1)21-16-22(20-10-5-2-6-11-20)18-23(17-21)24-12-7-13-25(27-24)26-28-14-15-29-26/h1-13,16-18,26H,14-15H2
InChIKeyIVGFURNBJSWOMY-UHFFFAOYSA-N
XLogP6.13
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-6-(3,5-diphenylphenyl)pyridine?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-6-(3,5-diphenylphenyl)pyridine (CID 169180721) is 2-(1,3-dioxolan-2-yl)-6-(3,5-diphenylphenyl)pyridine.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-6-(3,5-diphenylphenyl)pyridine?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-6-(3,5-diphenylphenyl)pyridine is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(C4OCCO4)n3)c2)cc1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-6-(3,5-diphenylphenyl)pyridine?
The InChIKey is IVGFURNBJSWOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO2/c1-3-8-19(9-4-1)21-16-22(20-10-5-2-6-11-20)18-23(17-21)24-12-7-13-25(27-24)26-28-14-15-29-26/h1-13,16-18,26H,14-15H2.
What are the key properties of 2-(1,3-dioxolan-2-yl)-6-(3,5-diphenylphenyl)pyridine?
2-(1,3-dioxolan-2-yl)-6-(3,5-diphenylphenyl)pyridine has a molecular weight of 379.46 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-6-(3,5-diphenylphenyl)pyridine is sourced from PubChem (CID 169180721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).