5-(3,5-diphenylphenyl)cyclohexane-1,3-dione

C24H20O2 — CID 52939560

IUPAC5-(3,5-diphenylphenyl)cyclohexane-1,3-dione
SMILESO=C1CC(=O)CC(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)C1
InChIInChI=1S/C24H20O2/c25-23-14-22(15-24(26)16-23)21-12-19(17-7-3-1-4-8-17)11-20(13-21)18-9-5-2-6-10-18/h1-13,22H,14-16H2
InChIKeyGMAAZXCNTVDYDQ-UHFFFAOYSA-N
MW340.42 g/mol
LogP5.43
Rot. Bonds3

About 5-(3,5-diphenylphenyl)cyclohexane-1,3-dione

5-(3,5-diphenylphenyl)cyclohexane-1,3-dione (PubChem CID 52939560) has the molecular formula C24H20O2 and a molecular weight of 340.42 g/mol. Its IUPAC name is 5-(3,5-diphenylphenyl)cyclohexane-1,3-dione.

Molecular Properties

Compound Name5-(3,5-diphenylphenyl)cyclohexane-1,3-dione
PubChem CID52939560
Molecular FormulaC24H20O2
Molecular Weight340.42 g/mol
Exact Mass340.15
IUPAC Name5-(3,5-diphenylphenyl)cyclohexane-1,3-dione
SMILESO=C1CC(=O)CC(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)C1
InChIInChI=1S/C24H20O2/c25-23-14-22(15-24(26)16-23)21-12-19(17-7-3-1-4-8-17)11-20(13-21)18-9-5-2-6-10-18/h1-13,22H,14-16H2
InChIKeyGMAAZXCNTVDYDQ-UHFFFAOYSA-N
XLogP5.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-diphenylphenyl)cyclohexane-1,3-dione?
The IUPAC name of 5-(3,5-diphenylphenyl)cyclohexane-1,3-dione (CID 52939560) is 5-(3,5-diphenylphenyl)cyclohexane-1,3-dione.
What is the SMILES notation for 5-(3,5-diphenylphenyl)cyclohexane-1,3-dione?
The canonical SMILES for 5-(3,5-diphenylphenyl)cyclohexane-1,3-dione is O=C1CC(=O)CC(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)C1.
What is the InChIKey of 5-(3,5-diphenylphenyl)cyclohexane-1,3-dione?
The InChIKey is GMAAZXCNTVDYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O2/c25-23-14-22(15-24(26)16-23)21-12-19(17-7-3-1-4-8-17)11-20(13-21)18-9-5-2-6-10-18/h1-13,22H,14-16H2.
What are the key properties of 5-(3,5-diphenylphenyl)cyclohexane-1,3-dione?
5-(3,5-diphenylphenyl)cyclohexane-1,3-dione has a molecular weight of 340.42 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-diphenylphenyl)cyclohexane-1,3-dione is sourced from PubChem (CID 52939560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).