(4-phenoxyphenyl)-diphenylsulfanium

C24H19OS+ — CID 4296458

IUPAC(4-phenoxyphenyl)-diphenylsulfanium
SMILESc1ccc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H19OS/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19H/q+1
InChIKeyVQJWWTCKNSPKMJ-UHFFFAOYSA-N
MW355.48 g/mol
LogP6.57
Rot. Bonds5

About (4-phenoxyphenyl)-diphenylsulfanium

(4-phenoxyphenyl)-diphenylsulfanium (PubChem CID 4296458) has the molecular formula C24H19OS+ and a molecular weight of 355.48 g/mol. Its IUPAC name is (4-phenoxyphenyl)-diphenylsulfanium.

Molecular Properties

Compound Name(4-phenoxyphenyl)-diphenylsulfanium
PubChem CID4296458
Molecular FormulaC24H19OS+
Molecular Weight355.48 g/mol
Exact Mass355.12
IUPAC Name(4-phenoxyphenyl)-diphenylsulfanium
SMILESc1ccc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H19OS/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19H/q+1
InChIKeyVQJWWTCKNSPKMJ-UHFFFAOYSA-N
XLogP6.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 56.57
H-Bond Donors ≤ 50
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 (4-phenoxyphenyl)-diphenylsulfanium?
The IUPAC name of (4-phenoxyphenyl)-diphenylsulfanium (CID 4296458) is (4-phenoxyphenyl)-diphenylsulfanium.
What is the SMILES notation for (4-phenoxyphenyl)-diphenylsulfanium?
The canonical SMILES for (4-phenoxyphenyl)-diphenylsulfanium is c1ccc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of (4-phenoxyphenyl)-diphenylsulfanium?
The InChIKey is VQJWWTCKNSPKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19OS/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19H/q+1.
What are the key properties of (4-phenoxyphenyl)-diphenylsulfanium?
(4-phenoxyphenyl)-diphenylsulfanium has a molecular weight of 355.48 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl)-diphenylsulfanium is sourced from PubChem (CID 4296458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).