2-(2,2-diphenylacetyl)indene-1,3-dione

C23H16O3 — CID 6719

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IUPAC2-(2,2-diphenylacetyl)indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H
InChIKeyJYGLAHSAISAEAL-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.08
Rot. Bonds4

About 2-(2,2-diphenylacetyl)indene-1,3-dione

2-(2,2-diphenylacetyl)indene-1,3-dione (PubChem CID 6719) has the molecular formula C23H16O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(2,2-diphenylacetyl)indene-1,3-dione.

Molecular Properties

Compound Name2-(2,2-diphenylacetyl)indene-1,3-dione
PubChem CID6719
Molecular FormulaC23H16O3
Molecular Weight340.38 g/mol
Exact Mass340.11
IUPAC Name2-(2,2-diphenylacetyl)indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H
InChIKeyJYGLAHSAISAEAL-UHFFFAOYSA-N
XLogP4.08
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Phenindione
CID 4760
Pindone
CID 6732
Chlorophacinone
CID 19402
Fluorenone
CID 10241
Fluindione
CID 68942
Acenaphthenequinone
CID 6724
Valone
CID 6733
1-Acenaphthenone
CID 75229
1,3-Indandione
CID 11815
1,3-Indandione, 2-benzoyl-
CID 95022
Methanone, 9H-fluoren-2-ylphenyl-
CID 97070
Benzo[b]fluoren-11-one
CID 18311

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylacetyl)indene-1,3-dione?
The IUPAC name of 2-(2,2-diphenylacetyl)indene-1,3-dione (CID 6719) is 2-(2,2-diphenylacetyl)indene-1,3-dione.
What is the SMILES notation for 2-(2,2-diphenylacetyl)indene-1,3-dione?
The canonical SMILES for 2-(2,2-diphenylacetyl)indene-1,3-dione is O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2,2-diphenylacetyl)indene-1,3-dione?
The InChIKey is JYGLAHSAISAEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H.
What are the key properties of 2-(2,2-diphenylacetyl)indene-1,3-dione?
2-(2,2-diphenylacetyl)indene-1,3-dione has a molecular weight of 340.38 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylacetyl)indene-1,3-dione is sourced from PubChem (CID 6719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).