3-(4-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene

C23H15FOS — CID 12994523

IUPAC3-(4-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene
SMILESFc1ccc(C2(c3cccs3)C=Cc3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C23H15FOS/c24-18-10-8-17(9-11-18)23(22-6-3-15-26-22)14-13-20-19-5-2-1-4-16(19)7-12-21(20)25-23/h1-15H
InChIKeyLUIQNLIEDINBMR-UHFFFAOYSA-N
MW358.44 g/mol
LogP6.39
Rot. Bonds2

About 3-(4-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene

3-(4-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene (PubChem CID 12994523) has the molecular formula C23H15FOS and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene
PubChem CID12994523
Molecular FormulaC23H15FOS
Molecular Weight358.44 g/mol
Exact Mass358.08
IUPAC Name3-(4-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene
SMILESFc1ccc(C2(c3cccs3)C=Cc3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C23H15FOS/c24-18-10-8-17(9-11-18)23(22-6-3-15-26-22)14-13-20-19-5-2-1-4-16(19)7-12-21(20)25-23/h1-15H
InChIKeyLUIQNLIEDINBMR-UHFFFAOYSA-N
XLogP6.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene?
The IUPAC name of 3-(4-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene (CID 12994523) is 3-(4-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene.
What is the SMILES notation for 3-(4-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene?
The canonical SMILES for 3-(4-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene is Fc1ccc(C2(c3cccs3)C=Cc3c(ccc4ccccc34)O2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene?
The InChIKey is LUIQNLIEDINBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FOS/c24-18-10-8-17(9-11-18)23(22-6-3-15-26-22)14-13-20-19-5-2-1-4-16(19)7-12-21(20)25-23/h1-15H.
What are the key properties of 3-(4-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene?
3-(4-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene has a molecular weight of 358.44 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene is sourced from PubChem (CID 12994523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).