1-(4-dianilinophosphinothioyloxyphenyl)ethanone

C20H19N2O2PS — CID 4644925

IUPAC1-(4-dianilinophosphinothioyloxyphenyl)ethanone
SMILESCC(=O)c1ccc(OP(=S)(Nc2ccccc2)Nc2ccccc2)cc1
InChIInChI=1S/C20H19N2O2PS/c1-16(23)17-12-14-20(15-13-17)24-25(26,21-18-8-4-2-5-9-18)22-19-10-6-3-7-11-19/h2-15H,1H3,(H2,21,22,26)
InChIKeyCEQMVEIVIXVOGU-UHFFFAOYSA-N
MW382.43 g/mol
LogP5.72
Rot. Bonds7

About 1-(4-dianilinophosphinothioyloxyphenyl)ethanone

1-(4-dianilinophosphinothioyloxyphenyl)ethanone (PubChem CID 4644925) has the molecular formula C20H19N2O2PS and a molecular weight of 382.43 g/mol. Its IUPAC name is 1-(4-dianilinophosphinothioyloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-dianilinophosphinothioyloxyphenyl)ethanone
PubChem CID4644925
Molecular FormulaC20H19N2O2PS
Molecular Weight382.43 g/mol
Exact Mass382.09
IUPAC Name1-(4-dianilinophosphinothioyloxyphenyl)ethanone
SMILESCC(=O)c1ccc(OP(=S)(Nc2ccccc2)Nc2ccccc2)cc1
InChIInChI=1S/C20H19N2O2PS/c1-16(23)17-12-14-20(15-13-17)24-25(26,21-18-8-4-2-5-9-18)22-19-10-6-3-7-11-19/h2-15H,1H3,(H2,21,22,26)
InChIKeyCEQMVEIVIXVOGU-UHFFFAOYSA-N
XLogP5.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.43
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
lithium 1-phenylethanone
CID 22269591
iron;1-phenylethanone
CID 70488357
potassium 1-phenylethanone
CID 19980201
acetic acid;1-phenylethanone
CID 159392478
benzoyl benzenecarboperoxoate;1-phenylethanone
CID 158043567
1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone
CID 10669604
CID 22025249
CID 22025249
[4-(phenylcarbamothioyl)phenyl] N,N-dimethylcarbamate
CID 5471256
N-(4-acetylphenyl)-2,2-difluoro-2-phenoxyacetamide
CID 20716397
4-(4-acetylphenoxy)benzoic acid
CID 60723234
ethane;1-phenylethanone;propan-2-one
CID 91456675

Frequently Asked Questions

What is the IUPAC name of 1-(4-dianilinophosphinothioyloxyphenyl)ethanone?
The IUPAC name of 1-(4-dianilinophosphinothioyloxyphenyl)ethanone (CID 4644925) is 1-(4-dianilinophosphinothioyloxyphenyl)ethanone.
What is the SMILES notation for 1-(4-dianilinophosphinothioyloxyphenyl)ethanone?
The canonical SMILES for 1-(4-dianilinophosphinothioyloxyphenyl)ethanone is CC(=O)c1ccc(OP(=S)(Nc2ccccc2)Nc2ccccc2)cc1.
What is the InChIKey of 1-(4-dianilinophosphinothioyloxyphenyl)ethanone?
The InChIKey is CEQMVEIVIXVOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N2O2PS/c1-16(23)17-12-14-20(15-13-17)24-25(26,21-18-8-4-2-5-9-18)22-19-10-6-3-7-11-19/h2-15H,1H3,(H2,21,22,26).
What are the key properties of 1-(4-dianilinophosphinothioyloxyphenyl)ethanone?
1-(4-dianilinophosphinothioyloxyphenyl)ethanone has a molecular weight of 382.43 g/mol, XLogP of 5.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-dianilinophosphinothioyloxyphenyl)ethanone is sourced from PubChem (CID 4644925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).