2,3-bis(4-fluorophenyl)-1,2'-spirobi[indene]-1',3'-dione

C29H16F2O2 — CID 164682123

IUPAC2,3-bis(4-fluorophenyl)-1,2'-spirobi[indene]-1',3'-dione
SMILESO=C1c2ccccc2C(=O)C12C(c1ccc(F)cc1)=C(c1ccc(F)cc1)c1ccccc12
InChIInChI=1S/C29H16F2O2/c30-19-13-9-17(10-14-19)25-23-7-3-4-8-24(23)29(26(25)18-11-15-20(31)16-12-18)27(32)21-5-1-2-6-22(21)28(29)33/h1-16H
InChIKeyDCFNJULXHRKPAR-UHFFFAOYSA-N
MW434.44 g/mol
LogP6.25
Rot. Bonds2

About 2,3-bis(4-fluorophenyl)-1,2'-spirobi[indene]-1',3'-dione

2,3-bis(4-fluorophenyl)-1,2'-spirobi[indene]-1',3'-dione (PubChem CID 164682123) has the molecular formula C29H16F2O2 and a molecular weight of 434.44 g/mol. Its IUPAC name is 2,3-bis(4-fluorophenyl)-1,2'-spirobi[indene]-1',3'-dione.

Molecular Properties

Compound Name2,3-bis(4-fluorophenyl)-1,2'-spirobi[indene]-1',3'-dione
PubChem CID164682123
Molecular FormulaC29H16F2O2
Molecular Weight434.44 g/mol
Exact Mass434.11
IUPAC Name2,3-bis(4-fluorophenyl)-1,2'-spirobi[indene]-1',3'-dione
SMILESO=C1c2ccccc2C(=O)C12C(c1ccc(F)cc1)=C(c1ccc(F)cc1)c1ccccc12
InChIInChI=1S/C29H16F2O2/c30-19-13-9-17(10-14-19)25-23-7-3-4-8-24(23)29(26(25)18-11-15-20(31)16-12-18)27(32)21-5-1-2-6-22(21)28(29)33/h1-16H
InChIKeyDCFNJULXHRKPAR-UHFFFAOYSA-N
XLogP6.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.44
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-fluorophenyl)-1,2'-spirobi[indene]-1',3'-dione?
The IUPAC name of 2,3-bis(4-fluorophenyl)-1,2'-spirobi[indene]-1',3'-dione (CID 164682123) is 2,3-bis(4-fluorophenyl)-1,2'-spirobi[indene]-1',3'-dione.
What is the SMILES notation for 2,3-bis(4-fluorophenyl)-1,2'-spirobi[indene]-1',3'-dione?
The canonical SMILES for 2,3-bis(4-fluorophenyl)-1,2'-spirobi[indene]-1',3'-dione is O=C1c2ccccc2C(=O)C12C(c1ccc(F)cc1)=C(c1ccc(F)cc1)c1ccccc12.
What is the InChIKey of 2,3-bis(4-fluorophenyl)-1,2'-spirobi[indene]-1',3'-dione?
The InChIKey is DCFNJULXHRKPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H16F2O2/c30-19-13-9-17(10-14-19)25-23-7-3-4-8-24(23)29(26(25)18-11-15-20(31)16-12-18)27(32)21-5-1-2-6-22(21)28(29)33/h1-16H.
What are the key properties of 2,3-bis(4-fluorophenyl)-1,2'-spirobi[indene]-1',3'-dione?
2,3-bis(4-fluorophenyl)-1,2'-spirobi[indene]-1',3'-dione has a molecular weight of 434.44 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-fluorophenyl)-1,2'-spirobi[indene]-1',3'-dione is sourced from PubChem (CID 164682123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).