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

C36H34SSi — CID 146922012

IUPAC[4-[(4-cyclopentylphenyl)sulfanylmethyl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(CSc3ccc(C4CCCC4)cc3)cc2)cc1
InChIInChI=1S/C36H34SSi/c1-4-14-33(15-5-1)38(34-16-6-2-7-17-34,35-18-8-3-9-19-35)36-26-20-29(21-27-36)28-37-32-24-22-31(23-25-32)30-12-10-11-13-30/h1-9,14-27,30H,10-13,28H2
InChIKeyADJFHNCZXGKNMQ-UHFFFAOYSA-N
MW526.82 g/mol
LogP7.01
Rot. Bonds8

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

[4-[(4-cyclopentylphenyl)sulfanylmethyl]phenyl]-triphenylsilane (PubChem CID 146922012) has the molecular formula C36H34SSi and a molecular weight of 526.82 g/mol. Its IUPAC name is [4-[(4-cyclopentylphenyl)sulfanylmethyl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[4-[(4-cyclopentylphenyl)sulfanylmethyl]phenyl]-triphenylsilane
PubChem CID146922012
Molecular FormulaC36H34SSi
Molecular Weight526.82 g/mol
Exact Mass526.22
IUPAC Name[4-[(4-cyclopentylphenyl)sulfanylmethyl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(CSc3ccc(C4CCCC4)cc3)cc2)cc1
InChIInChI=1S/C36H34SSi/c1-4-14-33(15-5-1)38(34-16-6-2-7-17-34,35-18-8-3-9-19-35)36-26-20-29(21-27-36)28-37-32-24-22-31(23-25-32)30-12-10-11-13-30/h1-9,14-27,30H,10-13,28H2
InChIKeyADJFHNCZXGKNMQ-UHFFFAOYSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.82
LogP ≤ 57.01
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-cyclopentylphenyl)sulfanylmethyl]phenyl]-triphenylsilane?
The IUPAC name of [4-[(4-cyclopentylphenyl)sulfanylmethyl]phenyl]-triphenylsilane (CID 146922012) is [4-[(4-cyclopentylphenyl)sulfanylmethyl]phenyl]-triphenylsilane.
What is the SMILES notation for [4-[(4-cyclopentylphenyl)sulfanylmethyl]phenyl]-triphenylsilane?
The canonical SMILES for [4-[(4-cyclopentylphenyl)sulfanylmethyl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(CSc3ccc(C4CCCC4)cc3)cc2)cc1.
What is the InChIKey of [4-[(4-cyclopentylphenyl)sulfanylmethyl]phenyl]-triphenylsilane?
The InChIKey is ADJFHNCZXGKNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34SSi/c1-4-14-33(15-5-1)38(34-16-6-2-7-17-34,35-18-8-3-9-19-35)36-26-20-29(21-27-36)28-37-32-24-22-31(23-25-32)30-12-10-11-13-30/h1-9,14-27,30H,10-13,28H2.
What are the key properties of [4-[(4-cyclopentylphenyl)sulfanylmethyl]phenyl]-triphenylsilane?
[4-[(4-cyclopentylphenyl)sulfanylmethyl]phenyl]-triphenylsilane has a molecular weight of 526.82 g/mol, XLogP of 7.01, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-cyclopentylphenyl)sulfanylmethyl]phenyl]-triphenylsilane is sourced from PubChem (CID 146922012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).