bis(4-fluorophenyl)-(4-hydroxynaphthalen-1-yl)sulfanium

C22H15F2OS+ — CID 145450937

IUPACbis(4-fluorophenyl)-(4-hydroxynaphthalen-1-yl)sulfanium
SMILESOc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C22H14F2OS/c23-15-5-9-17(10-6-15)26(18-11-7-16(24)8-12-18)22-14-13-21(25)19-3-1-2-4-20(19)22/h1-14H/p+1
InChIKeyIHBVXZJSKMBMNZ-UHFFFAOYSA-O
MW365.42 g/mol
LogP5.92
Rot. Bonds3

About bis(4-fluorophenyl)-(4-hydroxynaphthalen-1-yl)sulfanium

bis(4-fluorophenyl)-(4-hydroxynaphthalen-1-yl)sulfanium (PubChem CID 145450937) has the molecular formula C22H15F2OS+ and a molecular weight of 365.42 g/mol. Its IUPAC name is bis(4-fluorophenyl)-(4-hydroxynaphthalen-1-yl)sulfanium.

Molecular Properties

Compound Namebis(4-fluorophenyl)-(4-hydroxynaphthalen-1-yl)sulfanium
PubChem CID145450937
Molecular FormulaC22H15F2OS+
Molecular Weight365.42 g/mol
Exact Mass365.08
IUPAC Namebis(4-fluorophenyl)-(4-hydroxynaphthalen-1-yl)sulfanium
SMILESOc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C22H14F2OS/c23-15-5-9-17(10-6-15)26(18-11-7-16(24)8-12-18)22-14-13-21(25)19-3-1-2-4-20(19)22/h1-14H/p+1
InChIKeyIHBVXZJSKMBMNZ-UHFFFAOYSA-O
XLogP5.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.42
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-(4-hydroxynaphthalen-1-yl)sulfanium?
The IUPAC name of bis(4-fluorophenyl)-(4-hydroxynaphthalen-1-yl)sulfanium (CID 145450937) is bis(4-fluorophenyl)-(4-hydroxynaphthalen-1-yl)sulfanium.
What is the SMILES notation for bis(4-fluorophenyl)-(4-hydroxynaphthalen-1-yl)sulfanium?
The canonical SMILES for bis(4-fluorophenyl)-(4-hydroxynaphthalen-1-yl)sulfanium is Oc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)c2ccccc12.
What is the InChIKey of bis(4-fluorophenyl)-(4-hydroxynaphthalen-1-yl)sulfanium?
The InChIKey is IHBVXZJSKMBMNZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H14F2OS/c23-15-5-9-17(10-6-15)26(18-11-7-16(24)8-12-18)22-14-13-21(25)19-3-1-2-4-20(19)22/h1-14H/p+1.
What are the key properties of bis(4-fluorophenyl)-(4-hydroxynaphthalen-1-yl)sulfanium?
bis(4-fluorophenyl)-(4-hydroxynaphthalen-1-yl)sulfanium has a molecular weight of 365.42 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-(4-hydroxynaphthalen-1-yl)sulfanium is sourced from PubChem (CID 145450937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).