bis(4-fluorophenyl)-[4-[4-(4-methoxybenzoyl)phenyl]sulfanylphenyl]sulfanium

C32H23F2O2S2+ — CID 87292456

IUPACbis(4-fluorophenyl)-[4-[4-(4-methoxybenzoyl)phenyl]sulfanylphenyl]sulfanium
SMILESCOc1ccc(C(=O)c2ccc(Sc3ccc([S+](c4ccc(F)cc4)c4ccc(F)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H23F2O2S2/c1-36-26-10-2-22(3-11-26)32(35)23-4-12-27(13-5-23)37-28-14-20-31(21-15-28)38(29-16-6-24(33)7-17-29)30-18-8-25(34)9-19-30/h2-21H,1H3/q+1
InChIKeyWJMAZKCPEMQHFT-UHFFFAOYSA-N
MW541.66 g/mol
LogP8.45
Rot. Bonds8

About bis(4-fluorophenyl)-[4-[4-(4-methoxybenzoyl)phenyl]sulfanylphenyl]sulfanium

bis(4-fluorophenyl)-[4-[4-(4-methoxybenzoyl)phenyl]sulfanylphenyl]sulfanium (PubChem CID 87292456) has the molecular formula C32H23F2O2S2+ and a molecular weight of 541.66 g/mol. Its IUPAC name is bis(4-fluorophenyl)-[4-[4-(4-methoxybenzoyl)phenyl]sulfanylphenyl]sulfanium.

Molecular Properties

Compound Namebis(4-fluorophenyl)-[4-[4-(4-methoxybenzoyl)phenyl]sulfanylphenyl]sulfanium
PubChem CID87292456
Molecular FormulaC32H23F2O2S2+
Molecular Weight541.66 g/mol
Exact Mass541.11
IUPAC Namebis(4-fluorophenyl)-[4-[4-(4-methoxybenzoyl)phenyl]sulfanylphenyl]sulfanium
SMILESCOc1ccc(C(=O)c2ccc(Sc3ccc([S+](c4ccc(F)cc4)c4ccc(F)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H23F2O2S2/c1-36-26-10-2-22(3-11-26)32(35)23-4-12-27(13-5-23)37-28-14-20-31(21-15-28)38(29-16-6-24(33)7-17-29)30-18-8-25(34)9-19-30/h2-21H,1H3/q+1
InChIKeyWJMAZKCPEMQHFT-UHFFFAOYSA-N
XLogP8.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.66
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxybenzoyl)phenyl]sulfanylphenyl]sulfanium?
The IUPAC name of bis(4-fluorophenyl)-[4-[4-(4-methoxybenzoyl)phenyl]sulfanylphenyl]sulfanium (CID 87292456) is bis(4-fluorophenyl)-[4-[4-(4-methoxybenzoyl)phenyl]sulfanylphenyl]sulfanium.
What is the SMILES notation for bis(4-fluorophenyl)-[4-[4-(4-methoxybenzoyl)phenyl]sulfanylphenyl]sulfanium?
The canonical SMILES for bis(4-fluorophenyl)-[4-[4-(4-methoxybenzoyl)phenyl]sulfanylphenyl]sulfanium is COc1ccc(C(=O)c2ccc(Sc3ccc([S+](c4ccc(F)cc4)c4ccc(F)cc4)cc3)cc2)cc1.
What is the InChIKey of bis(4-fluorophenyl)-[4-[4-(4-methoxybenzoyl)phenyl]sulfanylphenyl]sulfanium?
The InChIKey is WJMAZKCPEMQHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23F2O2S2/c1-36-26-10-2-22(3-11-26)32(35)23-4-12-27(13-5-23)37-28-14-20-31(21-15-28)38(29-16-6-24(33)7-17-29)30-18-8-25(34)9-19-30/h2-21H,1H3/q+1.
What are the key properties of bis(4-fluorophenyl)-[4-[4-(4-methoxybenzoyl)phenyl]sulfanylphenyl]sulfanium?
bis(4-fluorophenyl)-[4-[4-(4-methoxybenzoyl)phenyl]sulfanylphenyl]sulfanium has a molecular weight of 541.66 g/mol, XLogP of 8.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-[4-[4-(4-methoxybenzoyl)phenyl]sulfanylphenyl]sulfanium is sourced from PubChem (CID 87292456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).