(4-nitrophenyl)-triphenylphosphanium chloride

C24H19ClNO2P — CID 19371264

IUPAC(4-nitrophenyl)-triphenylphosphanium chloride
SMILESO=[N+]([O-])c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C24H19NO2P.ClH/c26-25(27)20-16-18-24(19-17-20)28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;/h1-19H;1H/q+1;/p-1
InChIKeyUBFHRZQTQZUUEA-UHFFFAOYSA-M
MW419.85 g/mol
LogP1.22
Rot. Bonds5

About (4-nitrophenyl)-triphenylphosphanium chloride

(4-nitrophenyl)-triphenylphosphanium chloride (PubChem CID 19371264) has the molecular formula C24H19ClNO2P and a molecular weight of 419.85 g/mol. Its IUPAC name is (4-nitrophenyl)-triphenylphosphanium chloride.

Molecular Properties

Compound Name(4-nitrophenyl)-triphenylphosphanium chloride
PubChem CID19371264
Molecular FormulaC24H19ClNO2P
Molecular Weight419.85 g/mol
Exact Mass419.08
IUPAC Name(4-nitrophenyl)-triphenylphosphanium chloride
SMILESO=[N+]([O-])c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C24H19NO2P.ClH/c26-25(27)20-16-18-24(19-17-20)28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;/h1-19H;1H/q+1;/p-1
InChIKeyUBFHRZQTQZUUEA-UHFFFAOYSA-M
XLogP1.22
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.85
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

dimethyl-(4-nitrophenyl)-phenylphosphanium
CID 140606508
iron(3+);nitrobenzene;trichloride
CID 70503336
azane;nitrobenzene
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calcium nitrobenzene
CID 67916702
benzene;iron;nitrobenzene
CID 174446919
arsane;nitrobenzene
CID 174282180
azanium nitrobenzene
CID 22989049
iron;methane;nitrobenzene
CID 175081715
magnesium;hydride;nitrobenzene
CID 173371093
benzenethiol;1,4-dinitrobenzene
CID 174543198
1-nitro-4-(1-phenylethyl)benzene
CID 11790935
carbonic acid;nitrobenzene
CID 158100196

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)-triphenylphosphanium chloride?
The IUPAC name of (4-nitrophenyl)-triphenylphosphanium chloride (CID 19371264) is (4-nitrophenyl)-triphenylphosphanium chloride.
What is the SMILES notation for (4-nitrophenyl)-triphenylphosphanium chloride?
The canonical SMILES for (4-nitrophenyl)-triphenylphosphanium chloride is O=[N+]([O-])c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-].
What is the InChIKey of (4-nitrophenyl)-triphenylphosphanium chloride?
The InChIKey is UBFHRZQTQZUUEA-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H19NO2P.ClH/c26-25(27)20-16-18-24(19-17-20)28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;/h1-19H;1H/q+1;/p-1.
What are the key properties of (4-nitrophenyl)-triphenylphosphanium chloride?
(4-nitrophenyl)-triphenylphosphanium chloride has a molecular weight of 419.85 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)-triphenylphosphanium chloride is sourced from PubChem (CID 19371264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).