1-naphthalen-2-yl-2,4-diphenylbutane-1,4-dione

C26H20O2 — CID 102389148

IUPAC1-naphthalen-2-yl-2,4-diphenylbutane-1,4-dione
SMILESO=C(CC(C(=O)c1ccc2ccccc2c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H20O2/c27-25(21-12-5-2-6-13-21)18-24(20-10-3-1-4-11-20)26(28)23-16-15-19-9-7-8-14-22(19)17-23/h1-17,24H,18H2
InChIKeyGREFDPFTJLCKFY-UHFFFAOYSA-N
MW364.44 g/mol
LogP6.08
Rot. Bonds6

About 1-naphthalen-2-yl-2,4-diphenylbutane-1,4-dione

1-naphthalen-2-yl-2,4-diphenylbutane-1,4-dione (PubChem CID 102389148) has the molecular formula C26H20O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is 1-naphthalen-2-yl-2,4-diphenylbutane-1,4-dione.

Molecular Properties

Compound Name1-naphthalen-2-yl-2,4-diphenylbutane-1,4-dione
PubChem CID102389148
Molecular FormulaC26H20O2
Molecular Weight364.44 g/mol
Exact Mass364.15
IUPAC Name1-naphthalen-2-yl-2,4-diphenylbutane-1,4-dione
SMILESO=C(CC(C(=O)c1ccc2ccccc2c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H20O2/c27-25(21-12-5-2-6-13-21)18-24(20-10-3-1-4-11-20)26(28)23-16-15-19-9-7-8-14-22(19)17-23/h1-17,24H,18H2
InChIKeyGREFDPFTJLCKFY-UHFFFAOYSA-N
XLogP6.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.44
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-naphthalen-2-yl-4-oxo-3-pyridin-4-ylbutanoic acid
CID 22185202
(2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione
CID 135053959
(2S)-4-oxo-2,4-diphenylbutanoic acid
CID 6950859
methyl 2-naphthalen-2-yl-4-oxo-4-phenylbutanoate
CID 102072351
methyl (2R)-2-naphthalen-2-yl-4-oxo-4-phenylbutanoate
CID 177394965
2-amino-1-naphthalen-2-yl-2-phenylethanone
CID 116551211
(3R)-1,3-diphenylpentane-1,4-dione
CID 90658388
(2S)-4-oxo-2,4-diphenylbutanoate
CID 6950858
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
2,3-bis(4-fluorophenyl)-1-naphthalen-2-ylpropan-1-one
CID 135032887
1,2,5,5-tetraphenylpentane-1,4-dione
CID 134096157
2,2-bis(4-methylphenyl)-1-naphthalen-2-ylethanone
CID 56956568

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-2,4-diphenylbutane-1,4-dione?
The IUPAC name of 1-naphthalen-2-yl-2,4-diphenylbutane-1,4-dione (CID 102389148) is 1-naphthalen-2-yl-2,4-diphenylbutane-1,4-dione.
What is the SMILES notation for 1-naphthalen-2-yl-2,4-diphenylbutane-1,4-dione?
The canonical SMILES for 1-naphthalen-2-yl-2,4-diphenylbutane-1,4-dione is O=C(CC(C(=O)c1ccc2ccccc2c1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-naphthalen-2-yl-2,4-diphenylbutane-1,4-dione?
The InChIKey is GREFDPFTJLCKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O2/c27-25(21-12-5-2-6-13-21)18-24(20-10-3-1-4-11-20)26(28)23-16-15-19-9-7-8-14-22(19)17-23/h1-17,24H,18H2.
What are the key properties of 1-naphthalen-2-yl-2,4-diphenylbutane-1,4-dione?
1-naphthalen-2-yl-2,4-diphenylbutane-1,4-dione has a molecular weight of 364.44 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-2,4-diphenylbutane-1,4-dione is sourced from PubChem (CID 102389148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).