dibenzoyl 9-oxofluorene-2,7-dicarboxylate

C29H16O7 — CID 118088324

IUPACdibenzoyl 9-oxofluorene-2,7-dicarboxylate
SMILESO=C(OC(=O)c1ccc2c(c1)C(=O)c1cc(C(=O)OC(=O)c3ccccc3)ccc1-2)c1ccccc1
InChIInChI=1S/C29H16O7/c30-25-23-15-19(28(33)35-26(31)17-7-3-1-4-8-17)11-13-21(23)22-14-12-20(16-24(22)25)29(34)36-27(32)18-9-5-2-6-10-18/h1-16H
InChIKeyRYBYKDRGKAUQCB-UHFFFAOYSA-N
MW476.44 g/mol
LogP4.89
Rot. Bonds4

About dibenzoyl 9-oxofluorene-2,7-dicarboxylate

dibenzoyl 9-oxofluorene-2,7-dicarboxylate (PubChem CID 118088324) has the molecular formula C29H16O7 and a molecular weight of 476.44 g/mol. Its IUPAC name is dibenzoyl 9-oxofluorene-2,7-dicarboxylate.

Molecular Properties

Compound Namedibenzoyl 9-oxofluorene-2,7-dicarboxylate
PubChem CID118088324
Molecular FormulaC29H16O7
Molecular Weight476.44 g/mol
Exact Mass476.09
IUPAC Namedibenzoyl 9-oxofluorene-2,7-dicarboxylate
SMILESO=C(OC(=O)c1ccc2c(c1)C(=O)c1cc(C(=O)OC(=O)c3ccccc3)ccc1-2)c1ccccc1
InChIInChI=1S/C29H16O7/c30-25-23-15-19(28(33)35-26(31)17-7-3-1-4-8-17)11-13-21(23)22-14-12-20(16-24(22)25)29(34)36-27(32)18-9-5-2-6-10-18/h1-16H
InChIKeyRYBYKDRGKAUQCB-UHFFFAOYSA-N
XLogP4.89
TPSA103.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.44
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze dibenzoyl 9-oxofluorene-2,7-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(3-carboxybenzoyl)oxycarbonylbenzoyl]oxycarbonylbenzoic acid
CID 57217599
lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride
CID 174801705
3-(4-carboxybenzoyl)oxycarbonylbenzoic acid
CID 174415332
9,10-dioxoanthracene-2-carboxylic acid;gold
CID 175791261
2-methylpropyl 9-oxofluorene-2-carboxylate
CID 24619322
benzoyl benzoate;methylperoxymethane
CID 88758305
5-benzoyloxycarbonylbenzene-1,2,4-tricarboxylic acid
CID 141440230
methoxymethyl 9,10-dioxoanthracene-2-carboxylate
CID 20798432
prop-2-enyl 9,10-dioxoanthracene-2-carboxylate
CID 59816781
benzoyl benzenecarboperoxoate;2,3-diphenylanthracene-9,10-dione
CID 174818786
benzoyl benzoate;benzoyl chloride
CID 157050310
benzene-1,3-dicarboxylic acid;3-(3-carboxybenzoyl)oxycarbonylbenzoic acid
CID 87877872

Frequently Asked Questions

What is the IUPAC name of dibenzoyl 9-oxofluorene-2,7-dicarboxylate?
The IUPAC name of dibenzoyl 9-oxofluorene-2,7-dicarboxylate (CID 118088324) is dibenzoyl 9-oxofluorene-2,7-dicarboxylate.
What is the SMILES notation for dibenzoyl 9-oxofluorene-2,7-dicarboxylate?
The canonical SMILES for dibenzoyl 9-oxofluorene-2,7-dicarboxylate is O=C(OC(=O)c1ccc2c(c1)C(=O)c1cc(C(=O)OC(=O)c3ccccc3)ccc1-2)c1ccccc1.
What is the InChIKey of dibenzoyl 9-oxofluorene-2,7-dicarboxylate?
The InChIKey is RYBYKDRGKAUQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H16O7/c30-25-23-15-19(28(33)35-26(31)17-7-3-1-4-8-17)11-13-21(23)22-14-12-20(16-24(22)25)29(34)36-27(32)18-9-5-2-6-10-18/h1-16H.
What are the key properties of dibenzoyl 9-oxofluorene-2,7-dicarboxylate?
dibenzoyl 9-oxofluorene-2,7-dicarboxylate has a molecular weight of 476.44 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzoyl 9-oxofluorene-2,7-dicarboxylate is sourced from PubChem (CID 118088324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).