4-[[4-(dimethylamino)phenyl]diselanyl]-N,N-dimethylaniline

C16H20N2Se2 — CID 5324144

IUPAC4-[[4-(dimethylamino)phenyl]diselanyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc([Se][Se]c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H20N2Se2/c1-17(2)13-5-9-15(10-6-13)19-20-16-11-7-14(8-12-16)18(3)4/h5-12H,1-4H3
InChIKeyMSZXLCLRUSDFBH-UHFFFAOYSA-N
MW398.27 g/mol
LogP1.09
Rot. Bonds5

About 4-[[4-(dimethylamino)phenyl]diselanyl]-N,N-dimethylaniline

4-[[4-(dimethylamino)phenyl]diselanyl]-N,N-dimethylaniline (PubChem CID 5324144) has the molecular formula C16H20N2Se2 and a molecular weight of 398.27 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]diselanyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]diselanyl]-N,N-dimethylaniline
PubChem CID5324144
Molecular FormulaC16H20N2Se2
Molecular Weight398.27 g/mol
Exact Mass400.00
IUPAC Name4-[[4-(dimethylamino)phenyl]diselanyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc([Se][Se]c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H20N2Se2/c1-17(2)13-5-9-15(10-6-13)19-20-16-11-7-14(8-12-16)18(3)4/h5-12H,1-4H3
InChIKeyMSZXLCLRUSDFBH-UHFFFAOYSA-N
XLogP1.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.27
LogP ≤ 51.09
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 4-[[4-(dimethylamino)phenyl]diselanyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]diselanyl]-N,N-dimethylaniline (CID 5324144) is 4-[[4-(dimethylamino)phenyl]diselanyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]diselanyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]diselanyl]-N,N-dimethylaniline is CN(C)c1ccc([Se][Se]c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]diselanyl]-N,N-dimethylaniline?
The InChIKey is MSZXLCLRUSDFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2Se2/c1-17(2)13-5-9-15(10-6-13)19-20-16-11-7-14(8-12-16)18(3)4/h5-12H,1-4H3.
What are the key properties of 4-[[4-(dimethylamino)phenyl]diselanyl]-N,N-dimethylaniline?
4-[[4-(dimethylamino)phenyl]diselanyl]-N,N-dimethylaniline has a molecular weight of 398.27 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]diselanyl]-N,N-dimethylaniline is sourced from PubChem (CID 5324144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).