[2-(4-methylphenyl)sulfinyl-2-phenylselanylethyl]-triphenylsilane

C33H30OSSeSi — CID 23245893

IUPAC[2-(4-methylphenyl)sulfinyl-2-phenylselanylethyl]-triphenylsilane
SMILESCc1ccc(S(=O)C(C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)[Se]c2ccccc2)cc1
InChIInChI=1S/C33H30OSSeSi/c1-27-22-24-28(25-23-27)35(34)33(36-29-14-6-2-7-15-29)26-37(30-16-8-3-9-17-30,31-18-10-4-11-19-31)32-20-12-5-13-21-32/h2-25,33H,26H2,1H3
InChIKeyYAVJDQKWEKKMSQ-UHFFFAOYSA-N
MW581.72 g/mol
LogP4.63
Rot. Bonds9

About [2-(4-methylphenyl)sulfinyl-2-phenylselanylethyl]-triphenylsilane

[2-(4-methylphenyl)sulfinyl-2-phenylselanylethyl]-triphenylsilane (PubChem CID 23245893) has the molecular formula C33H30OSSeSi and a molecular weight of 581.72 g/mol. Its IUPAC name is [2-(4-methylphenyl)sulfinyl-2-phenylselanylethyl]-triphenylsilane.

Molecular Properties

Compound Name[2-(4-methylphenyl)sulfinyl-2-phenylselanylethyl]-triphenylsilane
PubChem CID23245893
Molecular FormulaC33H30OSSeSi
Molecular Weight581.72 g/mol
Exact Mass582.10
IUPAC Name[2-(4-methylphenyl)sulfinyl-2-phenylselanylethyl]-triphenylsilane
SMILESCc1ccc(S(=O)C(C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)[Se]c2ccccc2)cc1
InChIInChI=1S/C33H30OSSeSi/c1-27-22-24-28(25-23-27)35(34)33(36-29-14-6-2-7-15-29)26-37(30-16-8-3-9-17-30,31-18-10-4-11-19-31)32-20-12-5-13-21-32/h2-25,33H,26H2,1H3
InChIKeyYAVJDQKWEKKMSQ-UHFFFAOYSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.72
LogP ≤ 54.63
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'}

Analyze [2-(4-methylphenyl)sulfinyl-2-phenylselanylethyl]-triphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl-[(1S,2S,3S)-3-[(4-methylphenyl)sulfonylmethyl]-2-(phenylselanylmethyl)cyclopentyl]-phenylsilane
CID 11512225
dimethyl-[(1S,2S,3S)-2-[(4-methylphenyl)sulfonylmethyl]-3-(phenylselanylmethyl)cyclopentyl]-phenylsilane
CID 11599140
trimethyl-[(E)-2-(4-methylphenyl)sulfonyl-1-phenylselanylethenyl]silane
CID 13063156
[(1R)-1-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]ethyl]-triphenylstannane
CID 25260036
CID 119076940
CID 119076940
Dimethyl-[3-(4-methylphenyl)sulfonylprop-1-en-2-yl]-phenylsilane
CID 135060741
dimethyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-phenylsilane
CID 138974586
1-[(E,1R)-1,3-diphenylprop-2-enyl]sulfonyl-4-methylbenzene
CID 139110053
1-[(E,1S)-1,3-diphenylprop-2-enyl]sulfonyl-4-methylbenzene
CID 139110054
[(4-Methylphenyl)sulfinyl-phenylmethylidene]-triphenyl-lambda5-phosphane
CID 10791240
methyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-diphenylsilane
CID 10948453
trimethyl-[2-[(S)-(4-methylphenyl)sulfinyl]-2-phenylselanylethyl]silane
CID 10992918

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)sulfinyl-2-phenylselanylethyl]-triphenylsilane?
The IUPAC name of [2-(4-methylphenyl)sulfinyl-2-phenylselanylethyl]-triphenylsilane (CID 23245893) is [2-(4-methylphenyl)sulfinyl-2-phenylselanylethyl]-triphenylsilane.
What is the SMILES notation for [2-(4-methylphenyl)sulfinyl-2-phenylselanylethyl]-triphenylsilane?
The canonical SMILES for [2-(4-methylphenyl)sulfinyl-2-phenylselanylethyl]-triphenylsilane is Cc1ccc(S(=O)C(C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)[Se]c2ccccc2)cc1.
What is the InChIKey of [2-(4-methylphenyl)sulfinyl-2-phenylselanylethyl]-triphenylsilane?
The InChIKey is YAVJDQKWEKKMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30OSSeSi/c1-27-22-24-28(25-23-27)35(34)33(36-29-14-6-2-7-15-29)26-37(30-16-8-3-9-17-30,31-18-10-4-11-19-31)32-20-12-5-13-21-32/h2-25,33H,26H2,1H3.
What are the key properties of [2-(4-methylphenyl)sulfinyl-2-phenylselanylethyl]-triphenylsilane?
[2-(4-methylphenyl)sulfinyl-2-phenylselanylethyl]-triphenylsilane has a molecular weight of 581.72 g/mol, XLogP of 4.63, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)sulfinyl-2-phenylselanylethyl]-triphenylsilane is sourced from PubChem (CID 23245893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).