[4-[(4-iodophenyl)methylsulfanyl]phenyl]-diphenylsilane

C25H21ISSi — CID 174063688

IUPAC[4-[(4-iodophenyl)methylsulfanyl]phenyl]-diphenylsilane
SMILESIc1ccc(CSc2ccc([SiH](c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H21ISSi/c26-21-13-11-20(12-14-21)19-27-22-15-17-25(18-16-22)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-18,28H,19H2
InChIKeyNCSWSSAQYQPJPG-UHFFFAOYSA-N
MW508.50 g/mol
LogP4.83
Rot. Bonds6

About [4-[(4-iodophenyl)methylsulfanyl]phenyl]-diphenylsilane

[4-[(4-iodophenyl)methylsulfanyl]phenyl]-diphenylsilane (PubChem CID 174063688) has the molecular formula C25H21ISSi and a molecular weight of 508.50 g/mol. Its IUPAC name is [4-[(4-iodophenyl)methylsulfanyl]phenyl]-diphenylsilane.

Molecular Properties

Compound Name[4-[(4-iodophenyl)methylsulfanyl]phenyl]-diphenylsilane
PubChem CID174063688
Molecular FormulaC25H21ISSi
Molecular Weight508.50 g/mol
Exact Mass508.02
IUPAC Name[4-[(4-iodophenyl)methylsulfanyl]phenyl]-diphenylsilane
SMILESIc1ccc(CSc2ccc([SiH](c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H21ISSi/c26-21-13-11-20(12-14-21)19-27-22-15-17-25(18-16-22)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-18,28H,19H2
InChIKeyNCSWSSAQYQPJPG-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.50
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-[(4-iodophenyl)methylsulfanyl]benzene
CID 65490747
4-[(4-iodophenyl)methylsulfanyl]aniline
CID 65478638
1-benzylsulfanyl-4-(4-benzylsulfanylphenyl)sulfanylbenzene
CID 3090418
1-benzylsulfanyl-4-(difluoromethyl)benzene
CID 139404408
3-(4-benzylsulfanylphenyl)propan-1-ol
CID 156821984
1-benzylsulfanyl-4-methylbenzene
CID 10940369
[4-(phenylsulfanylmethyl)phenyl]methanol
CID 59255239
1-benzylsulfanyl-4-methylsulfanylbenzene
CID 13058449
3-[(4-iodophenyl)methylsulfanyl]benzoic acid
CID 65498974
1-methylsulfanyl-4-[(4-phenylphenyl)sulfanylmethyl]benzene
CID 130199319
1-fluoro-2-[(4-iodophenyl)methylsulfanyl]benzene
CID 65491729
2-[(4-iodophenyl)methylsulfanyl]pyrimidine
CID 65490348

Frequently Asked Questions

What is the IUPAC name of [4-[(4-iodophenyl)methylsulfanyl]phenyl]-diphenylsilane?
The IUPAC name of [4-[(4-iodophenyl)methylsulfanyl]phenyl]-diphenylsilane (CID 174063688) is [4-[(4-iodophenyl)methylsulfanyl]phenyl]-diphenylsilane.
What is the SMILES notation for [4-[(4-iodophenyl)methylsulfanyl]phenyl]-diphenylsilane?
The canonical SMILES for [4-[(4-iodophenyl)methylsulfanyl]phenyl]-diphenylsilane is Ic1ccc(CSc2ccc([SiH](c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[(4-iodophenyl)methylsulfanyl]phenyl]-diphenylsilane?
The InChIKey is NCSWSSAQYQPJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ISSi/c26-21-13-11-20(12-14-21)19-27-22-15-17-25(18-16-22)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-18,28H,19H2.
What are the key properties of [4-[(4-iodophenyl)methylsulfanyl]phenyl]-diphenylsilane?
[4-[(4-iodophenyl)methylsulfanyl]phenyl]-diphenylsilane has a molecular weight of 508.50 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-iodophenyl)methylsulfanyl]phenyl]-diphenylsilane is sourced from PubChem (CID 174063688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).