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

C25H21NO2 — CID 14907563

IUPAC6-[4-(dimethylamino)phenyl]-3,4-diphenylpyran-2-one
SMILESCN(C)c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(=O)o2)cc1
InChIInChI=1S/C25H21NO2/c1-26(2)21-15-13-19(14-16-21)23-17-22(18-9-5-3-6-10-18)24(25(27)28-23)20-11-7-4-8-12-20/h3-17H,1-2H3
InChIKeyAJUCJBHDTJIURK-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.71
Rot. Bonds4

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

6-[4-(dimethylamino)phenyl]-3,4-diphenylpyran-2-one (PubChem CID 14907563) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-3,4-diphenylpyran-2-one.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-3,4-diphenylpyran-2-one
PubChem CID14907563
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Name6-[4-(dimethylamino)phenyl]-3,4-diphenylpyran-2-one
SMILESCN(C)c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(=O)o2)cc1
InChIInChI=1S/C25H21NO2/c1-26(2)21-15-13-19(14-16-21)23-17-22(18-9-5-3-6-10-18)24(25(27)28-23)20-11-7-4-8-12-20/h3-17H,1-2H3
InChIKeyAJUCJBHDTJIURK-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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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-3,4-diphenylpyran-2-one?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-3,4-diphenylpyran-2-one (CID 14907563) is 6-[4-(dimethylamino)phenyl]-3,4-diphenylpyran-2-one.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-3,4-diphenylpyran-2-one?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-3,4-diphenylpyran-2-one is CN(C)c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(=O)o2)cc1.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-3,4-diphenylpyran-2-one?
The InChIKey is AJUCJBHDTJIURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO2/c1-26(2)21-15-13-19(14-16-21)23-17-22(18-9-5-3-6-10-18)24(25(27)28-23)20-11-7-4-8-12-20/h3-17H,1-2H3.
What are the key properties of 6-[4-(dimethylamino)phenyl]-3,4-diphenylpyran-2-one?
6-[4-(dimethylamino)phenyl]-3,4-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 6-[4-(dimethylamino)phenyl]-3,4-diphenylpyran-2-one is sourced from PubChem (CID 14907563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).