bis(diphenyl(phenyl)sulfanium);yttrium

C36H28S2Y — CID 59902790

IUPACbis(diphenyl(phenyl)sulfanium);yttrium
SMILES[Y].[c-]1ccc([S+](c2ccccc2)c2ccccc2)cc1.[c-]1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H14S.Y/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h2*1-2,4-15H;
InChIKeyNJNFCTVFORRZQT-UHFFFAOYSA-N
MW613.66 g/mol
LogP9.16
Rot. Bonds6

About bis(diphenyl(phenyl)sulfanium);yttrium

bis(diphenyl(phenyl)sulfanium);yttrium (PubChem CID 59902790) has the molecular formula C36H28S2Y and a molecular weight of 613.66 g/mol. Its IUPAC name is bis(diphenyl(phenyl)sulfanium);yttrium.

Molecular Properties

Compound Namebis(diphenyl(phenyl)sulfanium);yttrium
PubChem CID59902790
Molecular FormulaC36H28S2Y
Molecular Weight613.66 g/mol
Exact Mass613.07
IUPAC Namebis(diphenyl(phenyl)sulfanium);yttrium
SMILES[Y].[c-]1ccc([S+](c2ccccc2)c2ccccc2)cc1.[c-]1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H14S.Y/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h2*1-2,4-15H;
InChIKeyNJNFCTVFORRZQT-UHFFFAOYSA-N
XLogP9.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.66
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(diphenyl(phenyl)sulfanium);yttrium?
The IUPAC name of bis(diphenyl(phenyl)sulfanium);yttrium (CID 59902790) is bis(diphenyl(phenyl)sulfanium);yttrium.
What is the SMILES notation for bis(diphenyl(phenyl)sulfanium);yttrium?
The canonical SMILES for bis(diphenyl(phenyl)sulfanium);yttrium is [Y].[c-]1ccc([S+](c2ccccc2)c2ccccc2)cc1.[c-]1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(diphenyl(phenyl)sulfanium);yttrium?
The InChIKey is NJNFCTVFORRZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H14S.Y/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h2*1-2,4-15H;.
What are the key properties of bis(diphenyl(phenyl)sulfanium);yttrium?
bis(diphenyl(phenyl)sulfanium);yttrium has a molecular weight of 613.66 g/mol, XLogP of 9.16, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diphenyl(phenyl)sulfanium);yttrium is sourced from PubChem (CID 59902790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).