2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)phenol

C25H14FNO2S — CID 138712053

IUPAC2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)phenol
SMILESOc1ccccc1-c1nc2c(-c3cccc4c3oc3ccccc34)cc(F)cc2s1
InChIInChI=1S/C25H14FNO2S/c26-14-12-19(17-9-5-8-16-15-6-2-4-11-21(15)29-24(16)17)23-22(13-14)30-25(27-23)18-7-1-3-10-20(18)28/h1-13,28H
InChIKeyULAGRZWADPVPFM-UHFFFAOYSA-N
MW411.46 g/mol
LogP7.37
Rot. Bonds2

About 2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)phenol

2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)phenol (PubChem CID 138712053) has the molecular formula C25H14FNO2S and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)phenol.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)phenol
PubChem CID138712053
Molecular FormulaC25H14FNO2S
Molecular Weight411.46 g/mol
Exact Mass411.07
IUPAC Name2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)phenol
SMILESOc1ccccc1-c1nc2c(-c3cccc4c3oc3ccccc34)cc(F)cc2s1
InChIInChI=1S/C25H14FNO2S/c26-14-12-19(17-9-5-8-16-15-6-2-4-11-21(15)29-24(16)17)23-22(13-14)30-25(27-23)18-7-1-3-10-20(18)28/h1-13,28H
InChIKeyULAGRZWADPVPFM-UHFFFAOYSA-N
XLogP7.37
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)phenol?
The IUPAC name of 2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)phenol (CID 138712053) is 2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)phenol.
What is the SMILES notation for 2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)phenol?
The canonical SMILES for 2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)phenol is Oc1ccccc1-c1nc2c(-c3cccc4c3oc3ccccc34)cc(F)cc2s1.
What is the InChIKey of 2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)phenol?
The InChIKey is ULAGRZWADPVPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14FNO2S/c26-14-12-19(17-9-5-8-16-15-6-2-4-11-21(15)29-24(16)17)23-22(13-14)30-25(27-23)18-7-1-3-10-20(18)28/h1-13,28H.
What are the key properties of 2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)phenol?
2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)phenol has a molecular weight of 411.46 g/mol, XLogP of 7.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-4-yl-6-fluoro-1,3-benzothiazol-2-yl)phenol is sourced from PubChem (CID 138712053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).