diphenyl-[(4-phenylsulfanylphenyl)methyl]sulfanium

C25H21S2+ — CID 18982347

IUPACdiphenyl-[(4-phenylsulfanylphenyl)methyl]sulfanium
SMILESc1ccc(Sc2ccc(C[S+](c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H21S2/c1-4-10-22(11-5-1)26-23-18-16-21(17-19-23)20-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19H,20H2/q+1
InChIKeyCDSSLORQYXGBNX-UHFFFAOYSA-N
MW385.58 g/mol
LogP7.07
Rot. Bonds6

About diphenyl-[(4-phenylsulfanylphenyl)methyl]sulfanium

diphenyl-[(4-phenylsulfanylphenyl)methyl]sulfanium (PubChem CID 18982347) has the molecular formula C25H21S2+ and a molecular weight of 385.58 g/mol. Its IUPAC name is diphenyl-[(4-phenylsulfanylphenyl)methyl]sulfanium.

Molecular Properties

Compound Namediphenyl-[(4-phenylsulfanylphenyl)methyl]sulfanium
PubChem CID18982347
Molecular FormulaC25H21S2+
Molecular Weight385.58 g/mol
Exact Mass385.11
IUPAC Namediphenyl-[(4-phenylsulfanylphenyl)methyl]sulfanium
SMILESc1ccc(Sc2ccc(C[S+](c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H21S2/c1-4-10-22(11-5-1)26-23-18-16-21(17-19-23)20-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19H,20H2/q+1
InChIKeyCDSSLORQYXGBNX-UHFFFAOYSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.58
LogP ≤ 57.07
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 diphenyl-[(4-phenylsulfanylphenyl)methyl]sulfanium?
The IUPAC name of diphenyl-[(4-phenylsulfanylphenyl)methyl]sulfanium (CID 18982347) is diphenyl-[(4-phenylsulfanylphenyl)methyl]sulfanium.
What is the SMILES notation for diphenyl-[(4-phenylsulfanylphenyl)methyl]sulfanium?
The canonical SMILES for diphenyl-[(4-phenylsulfanylphenyl)methyl]sulfanium is c1ccc(Sc2ccc(C[S+](c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of diphenyl-[(4-phenylsulfanylphenyl)methyl]sulfanium?
The InChIKey is CDSSLORQYXGBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21S2/c1-4-10-22(11-5-1)26-23-18-16-21(17-19-23)20-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19H,20H2/q+1.
What are the key properties of diphenyl-[(4-phenylsulfanylphenyl)methyl]sulfanium?
diphenyl-[(4-phenylsulfanylphenyl)methyl]sulfanium has a molecular weight of 385.58 g/mol, XLogP of 7.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(4-phenylsulfanylphenyl)methyl]sulfanium is sourced from PubChem (CID 18982347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).