1,3,5-triphenylpentane-1,2-dione

C23H20O2 — CID 175125588

IUPAC1,3,5-triphenylpentane-1,2-dione
SMILESO=C(C(=O)C(CCc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O2/c24-22(20-14-8-3-9-15-20)23(25)21(19-12-6-2-7-13-19)17-16-18-10-4-1-5-11-18/h1-15,21H,16-17H2
InChIKeyFUJCVIVGZFJXPW-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.86
Rot. Bonds7

About 1,3,5-triphenylpentane-1,2-dione

1,3,5-triphenylpentane-1,2-dione (PubChem CID 175125588) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1,3,5-triphenylpentane-1,2-dione.

Molecular Properties

Compound Name1,3,5-triphenylpentane-1,2-dione
PubChem CID175125588
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Name1,3,5-triphenylpentane-1,2-dione
SMILESO=C(C(=O)C(CCc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O2/c24-22(20-14-8-3-9-15-20)23(25)21(19-12-6-2-7-13-19)17-16-18-10-4-1-5-11-18/h1-15,21H,16-17H2
InChIKeyFUJCVIVGZFJXPW-UHFFFAOYSA-N
XLogP4.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1,4-diphenylheptane-1,2,3-trione
CID 140640221
(2S)-2,5-diphenylpentanoic acid
CID 7054365
(2R)-2-(4-methylphenyl)-4-phenylbutanoic acid
CID 94724465
3,5-dichloro-1,7-diphenylheptan-4-one
CID 56634500
2-methyl-1,4-diphenylbutan-1-one
CID 11413736
(3R)-3,5-diphenylpentanoic acid
CID 821797
(2R)-2-phenyl-4-(3-propan-2-ylphenyl)butanoic acid
CID 125466189
2-(3-methylphenyl)-4-phenylbutanoic acid
CID 79436887
(2S)-4-(3-ethylphenyl)-2-phenylbutanoic acid
CID 125466001
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(2R)-2-(4-tert-butylphenyl)-4-phenylbutanamide
CID 129383585

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triphenylpentane-1,2-dione?
The IUPAC name of 1,3,5-triphenylpentane-1,2-dione (CID 175125588) is 1,3,5-triphenylpentane-1,2-dione.
What is the SMILES notation for 1,3,5-triphenylpentane-1,2-dione?
The canonical SMILES for 1,3,5-triphenylpentane-1,2-dione is O=C(C(=O)C(CCc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3,5-triphenylpentane-1,2-dione?
The InChIKey is FUJCVIVGZFJXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2/c24-22(20-14-8-3-9-15-20)23(25)21(19-12-6-2-7-13-19)17-16-18-10-4-1-5-11-18/h1-15,21H,16-17H2.
What are the key properties of 1,3,5-triphenylpentane-1,2-dione?
1,3,5-triphenylpentane-1,2-dione has a molecular weight of 328.41 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triphenylpentane-1,2-dione is sourced from PubChem (CID 175125588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).