4-diphenylphosphinoselenoyl-N-ethylaniline

C20H20NPSe — CID 13027615

IUPAC4-diphenylphosphinoselenoyl-N-ethylaniline
SMILESCCNc1ccc(P(=[Se])(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H20NPSe/c1-2-21-17-13-15-20(16-14-17)22(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,21H,2H2,1H3
InChIKeyPIFWMRMYZWAZEG-UHFFFAOYSA-N
MW384.32 g/mol
LogP3.50
Rot. Bonds5

About 4-diphenylphosphinoselenoyl-N-ethylaniline

4-diphenylphosphinoselenoyl-N-ethylaniline (PubChem CID 13027615) has the molecular formula C20H20NPSe and a molecular weight of 384.32 g/mol. Its IUPAC name is 4-diphenylphosphinoselenoyl-N-ethylaniline.

Molecular Properties

Compound Name4-diphenylphosphinoselenoyl-N-ethylaniline
PubChem CID13027615
Molecular FormulaC20H20NPSe
Molecular Weight384.32 g/mol
Exact Mass385.05
IUPAC Name4-diphenylphosphinoselenoyl-N-ethylaniline
SMILESCCNc1ccc(P(=[Se])(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H20NPSe/c1-2-21-17-13-15-20(16-14-17)22(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,21H,2H2,1H3
InChIKeyPIFWMRMYZWAZEG-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

magnesium;N-ethylaniline;dibromide
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CID 67742199
bis(N-ethylaniline);sulfuric acid
CID 172710683
N-ethylaniline;thiirene 1,1-dioxide
CID 69248918
4-(benzenesulfonyl)-N-ethylaniline
CID 10849008
4-(benzenesulfinyl)-N-ethylaniline
CID 53343998
4-diethoxyphosphoryl-N-ethylaniline
CID 23415640
bis(N-ethylaniline);sulfuric acid;dihydrate
CID 172803236
N-[4-(ethylamino)phenyl]benzamide
CID 71038629
N,4-diethylaniline
CID 6429431

Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphinoselenoyl-N-ethylaniline?
The IUPAC name of 4-diphenylphosphinoselenoyl-N-ethylaniline (CID 13027615) is 4-diphenylphosphinoselenoyl-N-ethylaniline.
What is the SMILES notation for 4-diphenylphosphinoselenoyl-N-ethylaniline?
The canonical SMILES for 4-diphenylphosphinoselenoyl-N-ethylaniline is CCNc1ccc(P(=[Se])(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-diphenylphosphinoselenoyl-N-ethylaniline?
The InChIKey is PIFWMRMYZWAZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20NPSe/c1-2-21-17-13-15-20(16-14-17)22(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,21H,2H2,1H3.
What are the key properties of 4-diphenylphosphinoselenoyl-N-ethylaniline?
4-diphenylphosphinoselenoyl-N-ethylaniline has a molecular weight of 384.32 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphinoselenoyl-N-ethylaniline is sourced from PubChem (CID 13027615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).