3-phenyl-1,5-dipyridin-2-ylpentane-1,5-dione

C21H18N2O2 — CID 16762317

IUPAC3-phenyl-1,5-dipyridin-2-ylpentane-1,5-dione
SMILESO=C(CC(CC(=O)c1ccccn1)c1ccccc1)c1ccccn1
InChIInChI=1S/C21H18N2O2/c24-20(18-10-4-6-12-22-18)14-17(16-8-2-1-3-9-16)15-21(25)19-11-5-7-13-23-19/h1-13,17H,14-15H2
InChIKeyPHICUFDPDALJBI-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.11
Rot. Bonds7

About 3-phenyl-1,5-dipyridin-2-ylpentane-1,5-dione

3-phenyl-1,5-dipyridin-2-ylpentane-1,5-dione (PubChem CID 16762317) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-phenyl-1,5-dipyridin-2-ylpentane-1,5-dione.

Molecular Properties

Compound Name3-phenyl-1,5-dipyridin-2-ylpentane-1,5-dione
PubChem CID16762317
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name3-phenyl-1,5-dipyridin-2-ylpentane-1,5-dione
SMILESO=C(CC(CC(=O)c1ccccn1)c1ccccc1)c1ccccn1
InChIInChI=1S/C21H18N2O2/c24-20(18-10-4-6-12-22-18)14-17(16-8-2-1-3-9-16)15-21(25)19-11-5-7-13-23-19/h1-13,17H,14-15H2
InChIKeyPHICUFDPDALJBI-UHFFFAOYSA-N
XLogP4.11
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,5-dipyridin-2-ylpentane-1,5-dione?
The IUPAC name of 3-phenyl-1,5-dipyridin-2-ylpentane-1,5-dione (CID 16762317) is 3-phenyl-1,5-dipyridin-2-ylpentane-1,5-dione.
What is the SMILES notation for 3-phenyl-1,5-dipyridin-2-ylpentane-1,5-dione?
The canonical SMILES for 3-phenyl-1,5-dipyridin-2-ylpentane-1,5-dione is O=C(CC(CC(=O)c1ccccn1)c1ccccc1)c1ccccn1.
What is the InChIKey of 3-phenyl-1,5-dipyridin-2-ylpentane-1,5-dione?
The InChIKey is PHICUFDPDALJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c24-20(18-10-4-6-12-22-18)14-17(16-8-2-1-3-9-16)15-21(25)19-11-5-7-13-23-19/h1-13,17H,14-15H2.
What are the key properties of 3-phenyl-1,5-dipyridin-2-ylpentane-1,5-dione?
3-phenyl-1,5-dipyridin-2-ylpentane-1,5-dione has a molecular weight of 330.39 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,5-dipyridin-2-ylpentane-1,5-dione is sourced from PubChem (CID 16762317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).