bis(4-fluorophenyl)-(9-hydroxy-10-oxo-9H-anthracen-2-yl)sulfanium

C26H17F2O2S+ — CID 153431280

IUPACbis(4-fluorophenyl)-(9-hydroxy-10-oxo-9H-anthracen-2-yl)sulfanium
SMILESO=C1c2ccccc2C(O)c2cc([S+](c3ccc(F)cc3)c3ccc(F)cc3)ccc21
InChIInChI=1S/C26H17F2O2S/c27-16-5-9-18(10-6-16)31(19-11-7-17(28)8-12-19)20-13-14-23-24(15-20)26(30)22-4-2-1-3-21(22)25(23)29/h1-15,26,30H/q+1
InChIKeyDZIOTNQHLRCEHK-UHFFFAOYSA-N
MW431.48 g/mol
LogP5.69
Rot. Bonds3

About bis(4-fluorophenyl)-(9-hydroxy-10-oxo-9H-anthracen-2-yl)sulfanium

bis(4-fluorophenyl)-(9-hydroxy-10-oxo-9H-anthracen-2-yl)sulfanium (PubChem CID 153431280) has the molecular formula C26H17F2O2S+ and a molecular weight of 431.48 g/mol. Its IUPAC name is bis(4-fluorophenyl)-(9-hydroxy-10-oxo-9H-anthracen-2-yl)sulfanium.

Molecular Properties

Compound Namebis(4-fluorophenyl)-(9-hydroxy-10-oxo-9H-anthracen-2-yl)sulfanium
PubChem CID153431280
Molecular FormulaC26H17F2O2S+
Molecular Weight431.48 g/mol
Exact Mass431.09
IUPAC Namebis(4-fluorophenyl)-(9-hydroxy-10-oxo-9H-anthracen-2-yl)sulfanium
SMILESO=C1c2ccccc2C(O)c2cc([S+](c3ccc(F)cc3)c3ccc(F)cc3)ccc21
InChIInChI=1S/C26H17F2O2S/c27-16-5-9-18(10-6-16)31(19-11-7-17(28)8-12-19)20-13-14-23-24(15-20)26(30)22-4-2-1-3-21(22)25(23)29/h1-15,26,30H/q+1
InChIKeyDZIOTNQHLRCEHK-UHFFFAOYSA-N
XLogP5.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.48
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)-(9-hydroxy-10-oxo-9H-anthracen-2-yl)sulfanium?
The IUPAC name of bis(4-fluorophenyl)-(9-hydroxy-10-oxo-9H-anthracen-2-yl)sulfanium (CID 153431280) is bis(4-fluorophenyl)-(9-hydroxy-10-oxo-9H-anthracen-2-yl)sulfanium.
What is the SMILES notation for bis(4-fluorophenyl)-(9-hydroxy-10-oxo-9H-anthracen-2-yl)sulfanium?
The canonical SMILES for bis(4-fluorophenyl)-(9-hydroxy-10-oxo-9H-anthracen-2-yl)sulfanium is O=C1c2ccccc2C(O)c2cc([S+](c3ccc(F)cc3)c3ccc(F)cc3)ccc21.
What is the InChIKey of bis(4-fluorophenyl)-(9-hydroxy-10-oxo-9H-anthracen-2-yl)sulfanium?
The InChIKey is DZIOTNQHLRCEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F2O2S/c27-16-5-9-18(10-6-16)31(19-11-7-17(28)8-12-19)20-13-14-23-24(15-20)26(30)22-4-2-1-3-21(22)25(23)29/h1-15,26,30H/q+1.
What are the key properties of bis(4-fluorophenyl)-(9-hydroxy-10-oxo-9H-anthracen-2-yl)sulfanium?
bis(4-fluorophenyl)-(9-hydroxy-10-oxo-9H-anthracen-2-yl)sulfanium has a molecular weight of 431.48 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-(9-hydroxy-10-oxo-9H-anthracen-2-yl)sulfanium is sourced from PubChem (CID 153431280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).