(4-nitrophenyl)-diphenyl-sulfanylidene-λ5-phosphane

C18H14NO2PS — CID 71366671

IUPAC(4-nitrophenyl)-diphenyl-sulfanylidene-λ5-phosphane
SMILESO=[N+]([O-])c1ccc(P(=S)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H14NO2PS/c20-19(21)15-11-13-18(14-12-15)22(23,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H
InChIKeyCMFJDLPTZDROIE-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.35
Rot. Bonds4

About (4-nitrophenyl)-diphenyl-sulfanylidene-λ5-phosphane

(4-nitrophenyl)-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 71366671) has the molecular formula C18H14NO2PS and a molecular weight of 339.36 g/mol. Its IUPAC name is (4-nitrophenyl)-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(4-nitrophenyl)-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID71366671
Molecular FormulaC18H14NO2PS
Molecular Weight339.36 g/mol
Exact Mass339.05
IUPAC Name(4-nitrophenyl)-diphenyl-sulfanylidene-λ5-phosphane
SMILESO=[N+]([O-])c1ccc(P(=S)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H14NO2PS/c20-19(21)15-11-13-18(14-12-15)22(23,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H
InChIKeyCMFJDLPTZDROIE-UHFFFAOYSA-N
XLogP3.35
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(4-nitrophenoxy)-phenyl-sulfanylidene-lambda5-phosphane
CID 13048547
2,4,6-trinitrophenol;triphenyl(sulfanylidene)-λ5-phosphane
CID 87917711
4-diphenylphosphinothioyl-2-[(4-nitrophenyl)diazenyl]phenol
CID 135501708
(E)-N-diphenylphosphinothioyl-1-(4-nitrophenyl)methanimine
CID 23642442
calcium nitrobenzene
CID 67916702
azane;nitrobenzene
CID 23197461
arsane;nitrobenzene
CID 174282180
benzene;iron;nitrobenzene
CID 174446919
azanium nitrobenzene
CID 22989049
magnesium;hydride;nitrobenzene
CID 173371093
iron(3+);nitrobenzene;trichloride
CID 70503336
iron;methane;nitrobenzene
CID 175081715

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of (4-nitrophenyl)-diphenyl-sulfanylidene-λ5-phosphane (CID 71366671) is (4-nitrophenyl)-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (4-nitrophenyl)-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for (4-nitrophenyl)-diphenyl-sulfanylidene-λ5-phosphane is O=[N+]([O-])c1ccc(P(=S)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-nitrophenyl)-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is CMFJDLPTZDROIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14NO2PS/c20-19(21)15-11-13-18(14-12-15)22(23,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H.
What are the key properties of (4-nitrophenyl)-diphenyl-sulfanylidene-λ5-phosphane?
(4-nitrophenyl)-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 339.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 71366671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).