bis(4-fluorophenyl)-[4-[4-[4-(2-hydroxyethoxy)benzoyl]phenyl]sulfanylphenyl]sulfanium

C33H25F2O3S2+ — CID 87292473

IUPACbis(4-fluorophenyl)-[4-[4-[4-(2-hydroxyethoxy)benzoyl]phenyl]sulfanylphenyl]sulfanium
SMILESO=C(c1ccc(OCCO)cc1)c1ccc(Sc2ccc([S+](c3ccc(F)cc3)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C33H25F2O3S2/c34-25-5-15-30(16-6-25)40(31-17-7-26(35)8-18-31)32-19-13-29(14-20-32)39-28-11-3-24(4-12-28)33(37)23-1-9-27(10-2-23)38-22-21-36/h1-20,36H,21-22H2/q+1
InChIKeyMTMIDKPSPLRUKH-UHFFFAOYSA-N
MW571.69 g/mol
LogP7.81
Rot. Bonds10

About bis(4-fluorophenyl)-[4-[4-[4-(2-hydroxyethoxy)benzoyl]phenyl]sulfanylphenyl]sulfanium

bis(4-fluorophenyl)-[4-[4-[4-(2-hydroxyethoxy)benzoyl]phenyl]sulfanylphenyl]sulfanium (PubChem CID 87292473) has the molecular formula C33H25F2O3S2+ and a molecular weight of 571.69 g/mol. Its IUPAC name is bis(4-fluorophenyl)-[4-[4-[4-(2-hydroxyethoxy)benzoyl]phenyl]sulfanylphenyl]sulfanium.

Molecular Properties

Compound Namebis(4-fluorophenyl)-[4-[4-[4-(2-hydroxyethoxy)benzoyl]phenyl]sulfanylphenyl]sulfanium
PubChem CID87292473
Molecular FormulaC33H25F2O3S2+
Molecular Weight571.69 g/mol
Exact Mass571.12
IUPAC Namebis(4-fluorophenyl)-[4-[4-[4-(2-hydroxyethoxy)benzoyl]phenyl]sulfanylphenyl]sulfanium
SMILESO=C(c1ccc(OCCO)cc1)c1ccc(Sc2ccc([S+](c3ccc(F)cc3)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C33H25F2O3S2/c34-25-5-15-30(16-6-25)40(31-17-7-26(35)8-18-31)32-19-13-29(14-20-32)39-28-11-3-24(4-12-28)33(37)23-1-9-27(10-2-23)38-22-21-36/h1-20,36H,21-22H2/q+1
InChIKeyMTMIDKPSPLRUKH-UHFFFAOYSA-N
XLogP7.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.69
LogP ≤ 57.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-[4-(2-hydroxyethoxy)benzoyl]phenyl]sulfanylphenyl]sulfanium?
The IUPAC name of bis(4-fluorophenyl)-[4-[4-[4-(2-hydroxyethoxy)benzoyl]phenyl]sulfanylphenyl]sulfanium (CID 87292473) is bis(4-fluorophenyl)-[4-[4-[4-(2-hydroxyethoxy)benzoyl]phenyl]sulfanylphenyl]sulfanium.
What is the SMILES notation for bis(4-fluorophenyl)-[4-[4-[4-(2-hydroxyethoxy)benzoyl]phenyl]sulfanylphenyl]sulfanium?
The canonical SMILES for bis(4-fluorophenyl)-[4-[4-[4-(2-hydroxyethoxy)benzoyl]phenyl]sulfanylphenyl]sulfanium is O=C(c1ccc(OCCO)cc1)c1ccc(Sc2ccc([S+](c3ccc(F)cc3)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of bis(4-fluorophenyl)-[4-[4-[4-(2-hydroxyethoxy)benzoyl]phenyl]sulfanylphenyl]sulfanium?
The InChIKey is MTMIDKPSPLRUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25F2O3S2/c34-25-5-15-30(16-6-25)40(31-17-7-26(35)8-18-31)32-19-13-29(14-20-32)39-28-11-3-24(4-12-28)33(37)23-1-9-27(10-2-23)38-22-21-36/h1-20,36H,21-22H2/q+1.
What are the key properties of bis(4-fluorophenyl)-[4-[4-[4-(2-hydroxyethoxy)benzoyl]phenyl]sulfanylphenyl]sulfanium?
bis(4-fluorophenyl)-[4-[4-[4-(2-hydroxyethoxy)benzoyl]phenyl]sulfanylphenyl]sulfanium has a molecular weight of 571.69 g/mol, XLogP of 7.81, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-[4-[4-[4-(2-hydroxyethoxy)benzoyl]phenyl]sulfanylphenyl]sulfanium is sourced from PubChem (CID 87292473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).