N-diphenylphosphinoselenoyl-2-nitroaniline

C18H15N2O2PSe — CID 139179277

IUPACN-diphenylphosphinoselenoyl-2-nitroaniline
SMILESO=[N+]([O-])c1ccccc1NP(=[Se])(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15N2O2PSe/c21-20(22)18-14-8-7-13-17(18)19-23(24,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,19,24)
InChIKeyCGKOWFUGISVFQE-UHFFFAOYSA-N
MW401.26 g/mol
LogP3.67
Rot. Bonds5

About N-diphenylphosphinoselenoyl-2-nitroaniline

N-diphenylphosphinoselenoyl-2-nitroaniline (PubChem CID 139179277) has the molecular formula C18H15N2O2PSe and a molecular weight of 401.26 g/mol. Its IUPAC name is N-diphenylphosphinoselenoyl-2-nitroaniline.

Molecular Properties

Compound NameN-diphenylphosphinoselenoyl-2-nitroaniline
PubChem CID139179277
Molecular FormulaC18H15N2O2PSe
Molecular Weight401.26 g/mol
Exact Mass402.00
IUPAC NameN-diphenylphosphinoselenoyl-2-nitroaniline
SMILESO=[N+]([O-])c1ccccc1NP(=[Se])(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15N2O2PSe/c21-20(22)18-14-8-7-13-17(18)19-23(24,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,19,24)
InChIKeyCGKOWFUGISVFQE-UHFFFAOYSA-N
XLogP3.67
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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'}

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Related Compounds

2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline
CID 27137964
N-(2-nitrophenyl)thiohydroxylamine
CID 59024861
2-(2-nitrophenyl)-1,1-diphenylhydrazine
CID 23118944
1-(2-nitrophenyl)-3-phenylurea
CID 4109613
1-chloro-2-(2-nitrophenyl)hydrazine
CID 88943642
carbamic acid;N-methyl-2-nitroaniline
CID 175546963
N-(2-nitroanilino)formamide
CID 3674192
N,N'-bis(2-nitrophenyl)octane-1,8-diamine
CID 71442066
N,N'-bis(2-nitrophenyl)pentane-1,5-diamine
CID 86062096
azane;2-nitro-N-propan-2-ylaniline
CID 174872000
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
2-methyl-6-[(2-nitrophenyl)carbamoylamino]benzoic acid
CID 23444552

Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphinoselenoyl-2-nitroaniline?
The IUPAC name of N-diphenylphosphinoselenoyl-2-nitroaniline (CID 139179277) is N-diphenylphosphinoselenoyl-2-nitroaniline.
What is the SMILES notation for N-diphenylphosphinoselenoyl-2-nitroaniline?
The canonical SMILES for N-diphenylphosphinoselenoyl-2-nitroaniline is O=[N+]([O-])c1ccccc1NP(=[Se])(c1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenylphosphinoselenoyl-2-nitroaniline?
The InChIKey is CGKOWFUGISVFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N2O2PSe/c21-20(22)18-14-8-7-13-17(18)19-23(24,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,19,24).
What are the key properties of N-diphenylphosphinoselenoyl-2-nitroaniline?
N-diphenylphosphinoselenoyl-2-nitroaniline has a molecular weight of 401.26 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphinoselenoyl-2-nitroaniline is sourced from PubChem (CID 139179277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).