[4-[(4-methylphenyl)sulfanylmethyl]phenyl]-triphenylsilane

C32H28SSi — CID 123753736

IUPAC[4-[(4-methylphenyl)sulfanylmethyl]phenyl]-triphenylsilane
SMILESCc1ccc(SCc2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C32H28SSi/c1-26-17-21-28(22-18-26)33-25-27-19-23-32(24-20-27)34(29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31/h2-24H,25H2,1H3
InChIKeyWSOSBIZVAUOUSQ-UHFFFAOYSA-N
MW472.73 g/mol
LogP5.66
Rot. Bonds7

About [4-[(4-methylphenyl)sulfanylmethyl]phenyl]-triphenylsilane

[4-[(4-methylphenyl)sulfanylmethyl]phenyl]-triphenylsilane (PubChem CID 123753736) has the molecular formula C32H28SSi and a molecular weight of 472.73 g/mol. Its IUPAC name is [4-[(4-methylphenyl)sulfanylmethyl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[4-[(4-methylphenyl)sulfanylmethyl]phenyl]-triphenylsilane
PubChem CID123753736
Molecular FormulaC32H28SSi
Molecular Weight472.73 g/mol
Exact Mass472.17
IUPAC Name[4-[(4-methylphenyl)sulfanylmethyl]phenyl]-triphenylsilane
SMILESCc1ccc(SCc2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C32H28SSi/c1-26-17-21-28(22-18-26)33-25-27-19-23-32(24-20-27)34(29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31/h2-24H,25H2,1H3
InChIKeyWSOSBIZVAUOUSQ-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.73
LogP ≤ 55.66
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-[(4-methylphenyl)sulfanylmethyl]phenyl]-triphenylsilane?
The IUPAC name of [4-[(4-methylphenyl)sulfanylmethyl]phenyl]-triphenylsilane (CID 123753736) is [4-[(4-methylphenyl)sulfanylmethyl]phenyl]-triphenylsilane.
What is the SMILES notation for [4-[(4-methylphenyl)sulfanylmethyl]phenyl]-triphenylsilane?
The canonical SMILES for [4-[(4-methylphenyl)sulfanylmethyl]phenyl]-triphenylsilane is Cc1ccc(SCc2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[(4-methylphenyl)sulfanylmethyl]phenyl]-triphenylsilane?
The InChIKey is WSOSBIZVAUOUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28SSi/c1-26-17-21-28(22-18-26)33-25-27-19-23-32(24-20-27)34(29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31/h2-24H,25H2,1H3.
What are the key properties of [4-[(4-methylphenyl)sulfanylmethyl]phenyl]-triphenylsilane?
[4-[(4-methylphenyl)sulfanylmethyl]phenyl]-triphenylsilane has a molecular weight of 472.73 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylphenyl)sulfanylmethyl]phenyl]-triphenylsilane is sourced from PubChem (CID 123753736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).