3-phenyl-1,5-dipyridin-4-ylpentane-1,5-dione

C21H18N2O2 — CID 11290437

IUPAC3-phenyl-1,5-dipyridin-4-ylpentane-1,5-dione
SMILESO=C(CC(CC(=O)c1ccncc1)c1ccccc1)c1ccncc1
InChIInChI=1S/C21H18N2O2/c24-20(17-6-10-22-11-7-17)14-19(16-4-2-1-3-5-16)15-21(25)18-8-12-23-13-9-18/h1-13,19H,14-15H2
InChIKeyFLEFOBZTQLUBAM-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.11
Rot. Bonds7

About 3-phenyl-1,5-dipyridin-4-ylpentane-1,5-dione

3-phenyl-1,5-dipyridin-4-ylpentane-1,5-dione (PubChem CID 11290437) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-phenyl-1,5-dipyridin-4-ylpentane-1,5-dione.

Molecular Properties

Compound Name3-phenyl-1,5-dipyridin-4-ylpentane-1,5-dione
PubChem CID11290437
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name3-phenyl-1,5-dipyridin-4-ylpentane-1,5-dione
SMILESO=C(CC(CC(=O)c1ccncc1)c1ccccc1)c1ccncc1
InChIInChI=1S/C21H18N2O2/c24-20(17-6-10-22-11-7-17)14-19(16-4-2-1-3-5-16)15-21(25)18-8-12-23-13-9-18/h1-13,19H,14-15H2
InChIKeyFLEFOBZTQLUBAM-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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Related Compounds

(3R)-1,3-diphenylpentan-1-one
CID 11042799
1,5-bis(4-nitrophenyl)-3-pyridin-4-ylpentane-1,5-dione
CID 155801921
5-hydroxy-1,3,5-triphenylpentan-1-one
CID 11727250
(3S)-1,3-diphenylhex-5-en-1-one
CID 11288162
(3S)-1-(4-chlorophenyl)-3-phenylhexane-1,5-dione
CID 46242276
(3R)-7-methyl-1,3,5-triphenylocta-5,6-dien-1-one
CID 101258032
3-[4-(6-methyl-3-pyridinyl)phenyl]-3-phenyl-1-pyridin-4-ylpropan-1-one
CID 90339611
[(1R)-2-hydroxy-1-phenylethyl] (3S)-5-oxo-3,5-diphenylpentanoate
CID 10318087
14-bromo-1,3-diphenyltetradecan-1-one
CID 135391784
7-oxo-5,7-diphenylhept-2-enoic acid
CID 71390061
1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione
CID 57258892
3-phenylpentanedioyl dichloride
CID 19103905

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,5-dipyridin-4-ylpentane-1,5-dione?
The IUPAC name of 3-phenyl-1,5-dipyridin-4-ylpentane-1,5-dione (CID 11290437) is 3-phenyl-1,5-dipyridin-4-ylpentane-1,5-dione.
What is the SMILES notation for 3-phenyl-1,5-dipyridin-4-ylpentane-1,5-dione?
The canonical SMILES for 3-phenyl-1,5-dipyridin-4-ylpentane-1,5-dione is O=C(CC(CC(=O)c1ccncc1)c1ccccc1)c1ccncc1.
What is the InChIKey of 3-phenyl-1,5-dipyridin-4-ylpentane-1,5-dione?
The InChIKey is FLEFOBZTQLUBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c24-20(17-6-10-22-11-7-17)14-19(16-4-2-1-3-5-16)15-21(25)18-8-12-23-13-9-18/h1-13,19H,14-15H2.
What are the key properties of 3-phenyl-1,5-dipyridin-4-ylpentane-1,5-dione?
3-phenyl-1,5-dipyridin-4-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-4-ylpentane-1,5-dione is sourced from PubChem (CID 11290437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).