triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium acetate

C38H33NO2P2 — CID 15821491

IUPACtriphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium acetate
SMILESCC(=O)[O-].c1ccc(P(=N[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H30NP2.C2H4O2/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;1-2(3)4/h1-30H;1H3,(H,3,4)/q+1;/p-1
InChIKeyAAOBUKZEIBZRBI-UHFFFAOYSA-M
MW597.64 g/mol
LogP5.83
Rot. Bonds7

About triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium acetate

triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium acetate (PubChem CID 15821491) has the molecular formula C38H33NO2P2 and a molecular weight of 597.64 g/mol. Its IUPAC name is triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium acetate.

Molecular Properties

Compound Nametriphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium acetate
PubChem CID15821491
Molecular FormulaC38H33NO2P2
Molecular Weight597.64 g/mol
Exact Mass597.20
IUPAC Nametriphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium acetate
SMILESCC(=O)[O-].c1ccc(P(=N[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H30NP2.C2H4O2/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;1-2(3)4/h1-30H;1H3,(H,3,4)/q+1;/p-1
InChIKeyAAOBUKZEIBZRBI-UHFFFAOYSA-M
XLogP5.83
TPSA52.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.64
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium acetate?
The IUPAC name of triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium acetate (CID 15821491) is triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium acetate.
What is the SMILES notation for triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium acetate?
The canonical SMILES for triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium acetate is CC(=O)[O-].c1ccc(P(=N[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium acetate?
The InChIKey is AAOBUKZEIBZRBI-UHFFFAOYSA-M. The full InChI is InChI=1S/C36H30NP2.C2H4O2/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;1-2(3)4/h1-30H;1H3,(H,3,4)/q+1;/p-1.
What are the key properties of triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium acetate?
triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium acetate has a molecular weight of 597.64 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium acetate is sourced from PubChem (CID 15821491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).