(E)-N-diphenylphosphinothioyl-1-(4-nitrophenyl)methanimine

C19H15N2O2PS — CID 23642442

IUPAC(E)-N-diphenylphosphinothioyl-1-(4-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/P(=S)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15N2O2PS/c22-21(23)17-13-11-16(12-14-17)15-20-24(25,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15H/b20-15+
InChIKeyPETDQFYNDLYTNR-HMMYKYKNSA-N
MW366.38 g/mol
LogP4.06
Rot. Bonds5

About (E)-N-diphenylphosphinothioyl-1-(4-nitrophenyl)methanimine

(E)-N-diphenylphosphinothioyl-1-(4-nitrophenyl)methanimine (PubChem CID 23642442) has the molecular formula C19H15N2O2PS and a molecular weight of 366.38 g/mol. Its IUPAC name is (E)-N-diphenylphosphinothioyl-1-(4-nitrophenyl)methanimine.

Molecular Properties

Compound Name(E)-N-diphenylphosphinothioyl-1-(4-nitrophenyl)methanimine
PubChem CID23642442
Molecular FormulaC19H15N2O2PS
Molecular Weight366.38 g/mol
Exact Mass366.06
IUPAC Name(E)-N-diphenylphosphinothioyl-1-(4-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/P(=S)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15N2O2PS/c22-21(23)17-13-11-16(12-14-17)15-20-24(25,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15H/b20-15+
InChIKeyPETDQFYNDLYTNR-HMMYKYKNSA-N
XLogP4.06
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (E)-N-diphenylphosphinothioyl-1-(4-nitrophenyl)methanimine 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

(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
CID 139599955
(4-nitrophenyl)-diphenyl-sulfanylidene-λ5-phosphane
CID 71366671
N-[(E)-benzylideneamino]-4-nitroaniline
CID 6436771
1-[(E)-(4-nitrophenyl)methylideneamino]-3-phenylthiourea
CID 6864430
4-[(4-nitrophenyl)methylideneamino]-N-phenylaniline
CID 787997
bis(4-nitrophenoxy)-phenyl-sulfanylidene-lambda5-phosphane
CID 13048547
(E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine
CID 13147214
1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine
CID 102486520
(NZ)-N-benzylidene-4-nitrobenzenesulfonamide
CID 6045437
1-nitro-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
CID 6258529
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
4-N-[(E)-(4-nitrophenyl)methylideneamino]-1-N-[(Z)-(4-nitrophenyl)methylideneamino]phthalazine-1,4-diamine
CID 98511539

Frequently Asked Questions

What is the IUPAC name of (E)-N-diphenylphosphinothioyl-1-(4-nitrophenyl)methanimine?
The IUPAC name of (E)-N-diphenylphosphinothioyl-1-(4-nitrophenyl)methanimine (CID 23642442) is (E)-N-diphenylphosphinothioyl-1-(4-nitrophenyl)methanimine.
What is the SMILES notation for (E)-N-diphenylphosphinothioyl-1-(4-nitrophenyl)methanimine?
The canonical SMILES for (E)-N-diphenylphosphinothioyl-1-(4-nitrophenyl)methanimine is O=[N+]([O-])c1ccc(/C=N/P(=S)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (E)-N-diphenylphosphinothioyl-1-(4-nitrophenyl)methanimine?
The InChIKey is PETDQFYNDLYTNR-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H15N2O2PS/c22-21(23)17-13-11-16(12-14-17)15-20-24(25,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15H/b20-15+.
What are the key properties of (E)-N-diphenylphosphinothioyl-1-(4-nitrophenyl)methanimine?
(E)-N-diphenylphosphinothioyl-1-(4-nitrophenyl)methanimine has a molecular weight of 366.38 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-diphenylphosphinothioyl-1-(4-nitrophenyl)methanimine is sourced from PubChem (CID 23642442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).