2-[3-(4-dibenzofuran-3-ylpyrazol-1-yl)phenoxy]pyridine

C26H17N3O2 — CID 140818836

IUPAC2-[3-(4-dibenzofuran-3-ylpyrazol-1-yl)phenoxy]pyridine
SMILESc1ccc(Oc2cccc(-n3cc(-c4ccc5c(c4)oc4ccccc45)cn3)c2)nc1
InChIInChI=1S/C26H17N3O2/c1-2-9-24-22(8-1)23-12-11-18(14-25(23)31-24)19-16-28-29(17-19)20-6-5-7-21(15-20)30-26-10-3-4-13-27-26/h1-17H
InChIKeyDEHPIEMJMYIHAZ-UHFFFAOYSA-N
MW403.44 g/mol
LogP6.63
Rot. Bonds4

About 2-[3-(4-dibenzofuran-3-ylpyrazol-1-yl)phenoxy]pyridine

2-[3-(4-dibenzofuran-3-ylpyrazol-1-yl)phenoxy]pyridine (PubChem CID 140818836) has the molecular formula C26H17N3O2 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-[3-(4-dibenzofuran-3-ylpyrazol-1-yl)phenoxy]pyridine.

Molecular Properties

Compound Name2-[3-(4-dibenzofuran-3-ylpyrazol-1-yl)phenoxy]pyridine
PubChem CID140818836
Molecular FormulaC26H17N3O2
Molecular Weight403.44 g/mol
Exact Mass403.13
IUPAC Name2-[3-(4-dibenzofuran-3-ylpyrazol-1-yl)phenoxy]pyridine
SMILESc1ccc(Oc2cccc(-n3cc(-c4ccc5c(c4)oc4ccccc45)cn3)c2)nc1
InChIInChI=1S/C26H17N3O2/c1-2-9-24-22(8-1)23-12-11-18(14-25(23)31-24)19-16-28-29(17-19)20-6-5-7-21(15-20)30-26-10-3-4-13-27-26/h1-17H
InChIKeyDEHPIEMJMYIHAZ-UHFFFAOYSA-N
XLogP6.63
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.44
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-dibenzofuran-3-yl-2-phenoxypyridine
CID 140715186
5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-(3-dibenzofuran-3-ylphenyl)pyridine
CID 153458193
1-(4-dibenzofuran-3-ylphenyl)pyrazole
CID 140714857
2-[4-(2-pyridin-2-yloxydibenzofuran-4-yl)oxydibenzofuran-2-yl]oxypyridine
CID 153431810
9-[1-[3-(3-pyridin-2-yloxyphenoxy)phenyl]triazol-4-yl]carbazole
CID 140731223
2-(8-bromodibenzofuran-2-yl)oxypyridine
CID 139515976
2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole
CID 153421215
9-[9-(3-pyridin-2-yloxyphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 140680930
2-[1-(3-pyridin-2-ylphenyl)pyrazol-4-yl]pyridine
CID 11150679
2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran
CID 90250402
2-[3-(4-imidazol-1-yldibenzofuran-2-yl)oxyphenoxy]pyridine
CID 139493757
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]dibenzofuran-1-yl]oxypyridine
CID 153431950

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-dibenzofuran-3-ylpyrazol-1-yl)phenoxy]pyridine?
The IUPAC name of 2-[3-(4-dibenzofuran-3-ylpyrazol-1-yl)phenoxy]pyridine (CID 140818836) is 2-[3-(4-dibenzofuran-3-ylpyrazol-1-yl)phenoxy]pyridine.
What is the SMILES notation for 2-[3-(4-dibenzofuran-3-ylpyrazol-1-yl)phenoxy]pyridine?
The canonical SMILES for 2-[3-(4-dibenzofuran-3-ylpyrazol-1-yl)phenoxy]pyridine is c1ccc(Oc2cccc(-n3cc(-c4ccc5c(c4)oc4ccccc45)cn3)c2)nc1.
What is the InChIKey of 2-[3-(4-dibenzofuran-3-ylpyrazol-1-yl)phenoxy]pyridine?
The InChIKey is DEHPIEMJMYIHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3O2/c1-2-9-24-22(8-1)23-12-11-18(14-25(23)31-24)19-16-28-29(17-19)20-6-5-7-21(15-20)30-26-10-3-4-13-27-26/h1-17H.
What are the key properties of 2-[3-(4-dibenzofuran-3-ylpyrazol-1-yl)phenoxy]pyridine?
2-[3-(4-dibenzofuran-3-ylpyrazol-1-yl)phenoxy]pyridine has a molecular weight of 403.44 g/mol, XLogP of 6.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-dibenzofuran-3-ylpyrazol-1-yl)phenoxy]pyridine is sourced from PubChem (CID 140818836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).