(4-benzylsulfanylphenyl)-diphenylsilane

C25H22SSi — CID 174063741

IUPAC(4-benzylsulfanylphenyl)-diphenylsilane
SMILESc1ccc(CSc2ccc([SiH](c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H22SSi/c1-4-10-21(11-5-1)20-26-22-16-18-25(19-17-22)27(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19,27H,20H2
InChIKeyLLICVNMTYPGPRZ-UHFFFAOYSA-N
MW382.60 g/mol
LogP4.23
Rot. Bonds6

About (4-benzylsulfanylphenyl)-diphenylsilane

(4-benzylsulfanylphenyl)-diphenylsilane (PubChem CID 174063741) has the molecular formula C25H22SSi and a molecular weight of 382.60 g/mol. Its IUPAC name is (4-benzylsulfanylphenyl)-diphenylsilane.

Molecular Properties

Compound Name(4-benzylsulfanylphenyl)-diphenylsilane
PubChem CID174063741
Molecular FormulaC25H22SSi
Molecular Weight382.60 g/mol
Exact Mass382.12
IUPAC Name(4-benzylsulfanylphenyl)-diphenylsilane
SMILESc1ccc(CSc2ccc([SiH](c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H22SSi/c1-4-10-21(11-5-1)20-26-22-16-18-25(19-17-22)27(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19,27H,20H2
InChIKeyLLICVNMTYPGPRZ-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.60
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-benzylsulfanylphenyl)-diphenylsilane?
The IUPAC name of (4-benzylsulfanylphenyl)-diphenylsilane (CID 174063741) is (4-benzylsulfanylphenyl)-diphenylsilane.
What is the SMILES notation for (4-benzylsulfanylphenyl)-diphenylsilane?
The canonical SMILES for (4-benzylsulfanylphenyl)-diphenylsilane is c1ccc(CSc2ccc([SiH](c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of (4-benzylsulfanylphenyl)-diphenylsilane?
The InChIKey is LLICVNMTYPGPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22SSi/c1-4-10-21(11-5-1)20-26-22-16-18-25(19-17-22)27(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19,27H,20H2.
What are the key properties of (4-benzylsulfanylphenyl)-diphenylsilane?
(4-benzylsulfanylphenyl)-diphenylsilane has a molecular weight of 382.60 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylsulfanylphenyl)-diphenylsilane is sourced from PubChem (CID 174063741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).