5-[4-(dimethylamino)phenyl]-3,6-diphenylpyran-2-one

C25H21NO2 — CID 164685894

IUPAC5-[4-(dimethylamino)phenyl]-3,6-diphenylpyran-2-one
SMILESCN(C)c1ccc(-c2cc(-c3ccccc3)c(=O)oc2-c2ccccc2)cc1
InChIInChI=1S/C25H21NO2/c1-26(2)21-15-13-19(14-16-21)22-17-23(18-9-5-3-6-10-18)25(27)28-24(22)20-11-7-4-8-12-20/h3-17H,1-2H3
InChIKeyQOTKCQJVBRYSRL-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.71
Rot. Bonds4

About 5-[4-(dimethylamino)phenyl]-3,6-diphenylpyran-2-one

5-[4-(dimethylamino)phenyl]-3,6-diphenylpyran-2-one (PubChem CID 164685894) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-3,6-diphenylpyran-2-one.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-3,6-diphenylpyran-2-one
PubChem CID164685894
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Name5-[4-(dimethylamino)phenyl]-3,6-diphenylpyran-2-one
SMILESCN(C)c1ccc(-c2cc(-c3ccccc3)c(=O)oc2-c2ccccc2)cc1
InChIInChI=1S/C25H21NO2/c1-26(2)21-15-13-19(14-16-21)22-17-23(18-9-5-3-6-10-18)25(27)28-24(22)20-11-7-4-8-12-20/h3-17H,1-2H3
InChIKeyQOTKCQJVBRYSRL-UHFFFAOYSA-N
XLogP5.71
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Octyl p-dimethylaminobenzoate
CID 42851
2(1H)-Quinolinone, 4-(benzoyloxy)-1-phenyl-
CID 2786126
3,3-Bis(4-(dimethylamino)phenyl)phthalide
CID 79281
Benzyl 4-(dimethylamino)benzoate
CID 803407
(3Z)-3-[4-(dimethylamino)benzylidene]-5-tetralin-6-yl-furan-2-one
CID 16682401
Methyl 4-(diphenylamino)benzoate
CID 5110567
4-(Methoxycarbonyl)benzyl 4-(dimethylamino)benzoate
CID 894481
3-[4-(Dimethylamino)phenyl]isocoumarin
CID 25058362
Methyl 4-[methyl-(2-oxo-1,2-diphenylethyl)amino]benzoate
CID 156011116
Methyl 4-[benzyl(phenyl)carbamoyl]benzoate
CID 24819418
3-[[4-(Dimethylamino)phenyl]methylidene]-5-phenylfuran-2-one
CID 284644
3-[4-(Dimethylamino)phenyl]chromen-2-one
CID 54580332

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]-3,6-diphenylpyran-2-one?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-3,6-diphenylpyran-2-one (CID 164685894) is 5-[4-(dimethylamino)phenyl]-3,6-diphenylpyran-2-one.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-3,6-diphenylpyran-2-one?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-3,6-diphenylpyran-2-one is CN(C)c1ccc(-c2cc(-c3ccccc3)c(=O)oc2-c2ccccc2)cc1.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-3,6-diphenylpyran-2-one?
The InChIKey is QOTKCQJVBRYSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO2/c1-26(2)21-15-13-19(14-16-21)22-17-23(18-9-5-3-6-10-18)25(27)28-24(22)20-11-7-4-8-12-20/h3-17H,1-2H3.
What are the key properties of 5-[4-(dimethylamino)phenyl]-3,6-diphenylpyran-2-one?
5-[4-(dimethylamino)phenyl]-3,6-diphenylpyran-2-one has a molecular weight of 367.45 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-3,6-diphenylpyran-2-one is sourced from PubChem (CID 164685894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).