4-(4-phenylmethoxyphenyl)-2,6-dipyridin-2-ylpyridine

C28H21N3O — CID 101416105

IUPAC4-(4-phenylmethoxyphenyl)-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(COc2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1
InChIInChI=1S/C28H21N3O/c1-2-8-21(9-3-1)20-32-24-14-12-22(13-15-24)23-18-27(25-10-4-6-16-29-25)31-28(19-23)26-11-5-7-17-30-26/h1-19H,20H2
InChIKeyRCZVJSOBWKWMRI-UHFFFAOYSA-N
MW415.50 g/mol
LogP6.45
Rot. Bonds6

About 4-(4-phenylmethoxyphenyl)-2,6-dipyridin-2-ylpyridine

4-(4-phenylmethoxyphenyl)-2,6-dipyridin-2-ylpyridine (PubChem CID 101416105) has the molecular formula C28H21N3O and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-(4-phenylmethoxyphenyl)-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(4-phenylmethoxyphenyl)-2,6-dipyridin-2-ylpyridine
PubChem CID101416105
Molecular FormulaC28H21N3O
Molecular Weight415.50 g/mol
Exact Mass415.17
IUPAC Name4-(4-phenylmethoxyphenyl)-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(COc2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1
InChIInChI=1S/C28H21N3O/c1-2-8-21(9-3-1)20-32-24-14-12-22(13-15-24)23-18-27(25-10-4-6-16-29-25)31-28(19-23)26-11-5-7-17-30-26/h1-19H,20H2
InChIKeyRCZVJSOBWKWMRI-UHFFFAOYSA-N
XLogP6.45
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylmethoxyphenyl)-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-(4-phenylmethoxyphenyl)-2,6-dipyridin-2-ylpyridine (CID 101416105) is 4-(4-phenylmethoxyphenyl)-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-(4-phenylmethoxyphenyl)-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-(4-phenylmethoxyphenyl)-2,6-dipyridin-2-ylpyridine is c1ccc(COc2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1.
What is the InChIKey of 4-(4-phenylmethoxyphenyl)-2,6-dipyridin-2-ylpyridine?
The InChIKey is RCZVJSOBWKWMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O/c1-2-8-21(9-3-1)20-32-24-14-12-22(13-15-24)23-18-27(25-10-4-6-16-29-25)31-28(19-23)26-11-5-7-17-30-26/h1-19H,20H2.
What are the key properties of 4-(4-phenylmethoxyphenyl)-2,6-dipyridin-2-ylpyridine?
4-(4-phenylmethoxyphenyl)-2,6-dipyridin-2-ylpyridine has a molecular weight of 415.50 g/mol, XLogP of 6.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylmethoxyphenyl)-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 101416105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).