bis[(4-nitrophenyl)methyl]-oxophosphanium

C14H12N2O5P+ — CID 22169102

IUPACbis[(4-nitrophenyl)methyl]-oxophosphanium
SMILESO=[N+]([O-])c1ccc(C[P+](=O)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H12N2O5P/c17-15(18)13-5-1-11(2-6-13)9-22(21)10-12-3-7-14(8-4-12)16(19)20/h1-8H,9-10H2/q+1
InChIKeyYIFJMUXMUPNPQS-UHFFFAOYSA-N
MW319.23 g/mol
LogP4.03
Rot. Bonds6

About bis[(4-nitrophenyl)methyl]-oxophosphanium

bis[(4-nitrophenyl)methyl]-oxophosphanium (PubChem CID 22169102) has the molecular formula C14H12N2O5P+ and a molecular weight of 319.23 g/mol. Its IUPAC name is bis[(4-nitrophenyl)methyl]-oxophosphanium.

Molecular Properties

Compound Namebis[(4-nitrophenyl)methyl]-oxophosphanium
PubChem CID22169102
Molecular FormulaC14H12N2O5P+
Molecular Weight319.23 g/mol
Exact Mass319.05
IUPAC Namebis[(4-nitrophenyl)methyl]-oxophosphanium
SMILESO=[N+]([O-])c1ccc(C[P+](=O)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H12N2O5P/c17-15(18)13-5-1-11(2-6-13)9-22(21)10-12-3-7-14(8-4-12)16(19)20/h1-8H,9-10H2/q+1
InChIKeyYIFJMUXMUPNPQS-UHFFFAOYSA-N
XLogP4.03
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

potassium 2-(4-nitrophenyl)acetate
CID 15261201
1-ethyl-4-nitrobenzene;tungsten
CID 58858101
1,4-bis[(4-nitrophenyl)methylsulfanylmethyl]benzene
CID 10365975
azane;1-ethyl-4-nitrobenzene
CID 19043225
1,4,7,10-tetrakis[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293980
CID 86219799
CID 86219799
CID 69274468
CID 69274468
dideuterio-(4-nitrophenyl)methanol
CID 10241023
N-methyl-2-(4-nitrophenyl)acetamide
CID 3389164
[4-[(4-nitrophenyl)methyl]phenyl]methanol
CID 118428999
2-(4-nitrophenyl)ethylazanium nitrate
CID 140513510
1-(hydroxysulfanylmethyl)-4-nitrobenzene
CID 163691163

Frequently Asked Questions

What is the IUPAC name of bis[(4-nitrophenyl)methyl]-oxophosphanium?
The IUPAC name of bis[(4-nitrophenyl)methyl]-oxophosphanium (CID 22169102) is bis[(4-nitrophenyl)methyl]-oxophosphanium.
What is the SMILES notation for bis[(4-nitrophenyl)methyl]-oxophosphanium?
The canonical SMILES for bis[(4-nitrophenyl)methyl]-oxophosphanium is O=[N+]([O-])c1ccc(C[P+](=O)Cc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of bis[(4-nitrophenyl)methyl]-oxophosphanium?
The InChIKey is YIFJMUXMUPNPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5P/c17-15(18)13-5-1-11(2-6-13)9-22(21)10-12-3-7-14(8-4-12)16(19)20/h1-8H,9-10H2/q+1.
What are the key properties of bis[(4-nitrophenyl)methyl]-oxophosphanium?
bis[(4-nitrophenyl)methyl]-oxophosphanium has a molecular weight of 319.23 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(4-nitrophenyl)methyl]-oxophosphanium is sourced from PubChem (CID 22169102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).