3-[dibenzothiophen-4-yl(dimethyl)silyl]-N,N-dimethylaniline

C22H23NSSi — CID 171394313

IUPAC3-[dibenzothiophen-4-yl(dimethyl)silyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc([Si](C)(C)c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C22H23NSSi/c1-23(2)16-9-7-10-17(15-16)25(3,4)21-14-8-12-19-18-11-5-6-13-20(18)24-22(19)21/h5-15H,1-4H3
InChIKeyMPPLQUIRZJZDHR-UHFFFAOYSA-N
MW361.59 g/mol
LogP4.94
Rot. Bonds3

About 3-[dibenzothiophen-4-yl(dimethyl)silyl]-N,N-dimethylaniline

3-[dibenzothiophen-4-yl(dimethyl)silyl]-N,N-dimethylaniline (PubChem CID 171394313) has the molecular formula C22H23NSSi and a molecular weight of 361.59 g/mol. Its IUPAC name is 3-[dibenzothiophen-4-yl(dimethyl)silyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[dibenzothiophen-4-yl(dimethyl)silyl]-N,N-dimethylaniline
PubChem CID171394313
Molecular FormulaC22H23NSSi
Molecular Weight361.59 g/mol
Exact Mass361.13
IUPAC Name3-[dibenzothiophen-4-yl(dimethyl)silyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc([Si](C)(C)c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C22H23NSSi/c1-23(2)16-9-7-10-17(15-16)25(3,4)21-14-8-12-19-18-11-5-6-13-20(18)24-22(19)21/h5-15H,1-4H3
InChIKeyMPPLQUIRZJZDHR-UHFFFAOYSA-N
XLogP4.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.59
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[dibenzothiophen-4-yl(dimethyl)silyl]-N,N-dimethylaniline?
The IUPAC name of 3-[dibenzothiophen-4-yl(dimethyl)silyl]-N,N-dimethylaniline (CID 171394313) is 3-[dibenzothiophen-4-yl(dimethyl)silyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[dibenzothiophen-4-yl(dimethyl)silyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[dibenzothiophen-4-yl(dimethyl)silyl]-N,N-dimethylaniline is CN(C)c1cccc([Si](C)(C)c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 3-[dibenzothiophen-4-yl(dimethyl)silyl]-N,N-dimethylaniline?
The InChIKey is MPPLQUIRZJZDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NSSi/c1-23(2)16-9-7-10-17(15-16)25(3,4)21-14-8-12-19-18-11-5-6-13-20(18)24-22(19)21/h5-15H,1-4H3.
What are the key properties of 3-[dibenzothiophen-4-yl(dimethyl)silyl]-N,N-dimethylaniline?
3-[dibenzothiophen-4-yl(dimethyl)silyl]-N,N-dimethylaniline has a molecular weight of 361.59 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dibenzothiophen-4-yl(dimethyl)silyl]-N,N-dimethylaniline is sourced from PubChem (CID 171394313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).