triphenyl-[phenyl(phenylsulfanyl)methyl]silane

C31H26SSi — CID 11048792

IUPACtriphenyl-[phenyl(phenylsulfanyl)methyl]silane
SMILESc1ccc(SC(c2ccccc2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H26SSi/c1-6-16-26(17-7-1)31(32-27-18-8-2-9-19-27)33(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30/h1-25,31H
InChIKeyMIWCTADDCJFCTP-UHFFFAOYSA-N
MW458.70 g/mol
LogP6.23
Rot. Bonds7

About triphenyl-[phenyl(phenylsulfanyl)methyl]silane

triphenyl-[phenyl(phenylsulfanyl)methyl]silane (PubChem CID 11048792) has the molecular formula C31H26SSi and a molecular weight of 458.70 g/mol. Its IUPAC name is triphenyl-[phenyl(phenylsulfanyl)methyl]silane.

Molecular Properties

Compound Nametriphenyl-[phenyl(phenylsulfanyl)methyl]silane
PubChem CID11048792
Molecular FormulaC31H26SSi
Molecular Weight458.70 g/mol
Exact Mass458.15
IUPAC Nametriphenyl-[phenyl(phenylsulfanyl)methyl]silane
SMILESc1ccc(SC(c2ccccc2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H26SSi/c1-6-16-26(17-7-1)31(32-27-18-8-2-9-19-27)33(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30/h1-25,31H
InChIKeyMIWCTADDCJFCTP-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.70
LogP ≤ 56.23
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 triphenyl-[phenyl(phenylsulfanyl)methyl]silane?
The IUPAC name of triphenyl-[phenyl(phenylsulfanyl)methyl]silane (CID 11048792) is triphenyl-[phenyl(phenylsulfanyl)methyl]silane.
What is the SMILES notation for triphenyl-[phenyl(phenylsulfanyl)methyl]silane?
The canonical SMILES for triphenyl-[phenyl(phenylsulfanyl)methyl]silane is c1ccc(SC(c2ccccc2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl-[phenyl(phenylsulfanyl)methyl]silane?
The InChIKey is MIWCTADDCJFCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26SSi/c1-6-16-26(17-7-1)31(32-27-18-8-2-9-19-27)33(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30/h1-25,31H.
What are the key properties of triphenyl-[phenyl(phenylsulfanyl)methyl]silane?
triphenyl-[phenyl(phenylsulfanyl)methyl]silane has a molecular weight of 458.70 g/mol, XLogP of 6.23, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[phenyl(phenylsulfanyl)methyl]silane is sourced from PubChem (CID 11048792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).