5'-(4-Chlorophenyl)-3'-(4-fluorophenyl)dispiro[indene-2,2'-furan-4',2''-indene]-1,1'',3,3''-tetrone

C32H18ClFO5 — CID 2862492

IUPAC—
SMILESO=C1c2ccccc2C(=O)C12OC(c1ccc(Cl)cc1)C1(C(=O)c3ccccc3C1=O)C2c1ccc(F)cc1
InChIInChI=1S/C32H18ClFO5/c33-19-13-9-18(10-14-19)30-31(26(35)21-5-1-2-6-22(21)27(31)36)25(17-11-15-20(34)16-12-17)32(39-30)28(37)23-7-3-4-8-24(23)29(32)38/h1-16,25,30H
InChIKeyWGWHLCIEQCXDFM-UHFFFAOYSA-N
MW536.94 g/mol
LogP6.22
Rot. Bonds2

About 5'-(4-Chlorophenyl)-3'-(4-fluorophenyl)dispiro[indene-2,2'-furan-4',2''-indene]-1,1'',3,3''-tetrone

5'-(4-Chlorophenyl)-3'-(4-fluorophenyl)dispiro[indene-2,2'-furan-4',2''-indene]-1,1'',3,3''-tetrone (PubChem CID 2862492) has the molecular formula C32H18ClFO5 and a molecular weight of 536.94 g/mol.

Molecular Properties

Compound Name5'-(4-Chlorophenyl)-3'-(4-fluorophenyl)dispiro[indene-2,2'-furan-4',2''-indene]-1,1'',3,3''-tetrone
PubChem CID2862492
Molecular FormulaC32H18ClFO5
Molecular Weight536.94 g/mol
Exact Mass536.08
IUPAC Name—
SMILESO=C1c2ccccc2C(=O)C12OC(c1ccc(Cl)cc1)C1(C(=O)c3ccccc3C1=O)C2c1ccc(F)cc1
InChIInChI=1S/C32H18ClFO5/c33-19-13-9-18(10-14-19)30-31(26(35)21-5-1-2-6-22(21)27(31)36)25(17-11-15-20(34)16-12-17)32(39-30)28(37)23-7-3-4-8-24(23)29(32)38/h1-16,25,30H
InChIKeyWGWHLCIEQCXDFM-UHFFFAOYSA-N
XLogP6.22
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.94
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 5'-(4-Chlorophenyl)-3'-(4-fluorophenyl)dispiro[indene-2,2'-furan-4',2''-indene]-1,1'',3,3''-tetrone?
The IUPAC name of 5'-(4-Chlorophenyl)-3'-(4-fluorophenyl)dispiro[indene-2,2'-furan-4',2''-indene]-1,1'',3,3''-tetrone (CID 2862492) is not available.
What is the SMILES notation for 5'-(4-Chlorophenyl)-3'-(4-fluorophenyl)dispiro[indene-2,2'-furan-4',2''-indene]-1,1'',3,3''-tetrone?
The canonical SMILES for 5'-(4-Chlorophenyl)-3'-(4-fluorophenyl)dispiro[indene-2,2'-furan-4',2''-indene]-1,1'',3,3''-tetrone is O=C1c2ccccc2C(=O)C12OC(c1ccc(Cl)cc1)C1(C(=O)c3ccccc3C1=O)C2c1ccc(F)cc1.
What is the InChIKey of 5'-(4-Chlorophenyl)-3'-(4-fluorophenyl)dispiro[indene-2,2'-furan-4',2''-indene]-1,1'',3,3''-tetrone?
The InChIKey is WGWHLCIEQCXDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18ClFO5/c33-19-13-9-18(10-14-19)30-31(26(35)21-5-1-2-6-22(21)27(31)36)25(17-11-15-20(34)16-12-17)32(39-30)28(37)23-7-3-4-8-24(23)29(32)38/h1-16,25,30H.
What are the key properties of 5'-(4-Chlorophenyl)-3'-(4-fluorophenyl)dispiro[indene-2,2'-furan-4',2''-indene]-1,1'',3,3''-tetrone?
5'-(4-Chlorophenyl)-3'-(4-fluorophenyl)dispiro[indene-2,2'-furan-4',2''-indene]-1,1'',3,3''-tetrone has a molecular weight of 536.94 g/mol, XLogP of 6.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(4-Chlorophenyl)-3'-(4-fluorophenyl)dispiro[indene-2,2'-furan-4',2''-indene]-1,1'',3,3''-tetrone is sourced from PubChem (CID 2862492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).