tris(diphenylphosphanium);phosphate

C36H36O4P4 — CID 158131338

IUPACtris(diphenylphosphanium);phosphate
SMILESO=P([O-])([O-])[O-].c1ccc([PH2+]c2ccccc2)cc1.c1ccc([PH2+]c2ccccc2)cc1.c1ccc([PH2+]c2ccccc2)cc1
InChIInChI=1S/3C12H11P.H3O4P/c3*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(2,3)4/h3*1-10,13H;(H3,1,2,3,4)
InChIKeyYINWDVPGFLYUCR-UHFFFAOYSA-N
MW656.58 g/mol
LogP3.32
Rot. Bonds6

About tris(diphenylphosphanium);phosphate

tris(diphenylphosphanium);phosphate (PubChem CID 158131338) has the molecular formula C36H36O4P4 and a molecular weight of 656.58 g/mol. Its IUPAC name is tris(diphenylphosphanium);phosphate.

Molecular Properties

Compound Nametris(diphenylphosphanium);phosphate
PubChem CID158131338
Molecular FormulaC36H36O4P4
Molecular Weight656.58 g/mol
Exact Mass656.16
IUPAC Nametris(diphenylphosphanium);phosphate
SMILESO=P([O-])([O-])[O-].c1ccc([PH2+]c2ccccc2)cc1.c1ccc([PH2+]c2ccccc2)cc1.c1ccc([PH2+]c2ccccc2)cc1
InChIInChI=1S/3C12H11P.H3O4P/c3*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(2,3)4/h3*1-10,13H;(H3,1,2,3,4)
InChIKeyYINWDVPGFLYUCR-UHFFFAOYSA-N
XLogP3.32
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500656.58
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1'-biphenyl;neodymium(3+);phosphate
CID 87071793
carbon monoxide;bis(diphenylphosphanium);iron
CID 6327288
diphenylphosphanium;methyl sulfate
CID 158280708
tris(triphenylsulfanium);phosphate
CID 160987641
aluminum;phenol;phosphate;hydrate
CID 175894244
tripotassium;phenoxybenzene;phosphate
CID 160692134
tripotassium;benzoic acid;phosphate
CID 174758799
CID 23340127
CID 23340127
phenylsulfanylazanium;phosphate
CID 159130947
lithium diphenylphosphinate
CID 23680317
copper dioxido-oxo-phenyl-λ5-phosphane
CID 68627267
diphenylphosphanium;5-phenylpentanoic acid
CID 142371989

Frequently Asked Questions

What is the IUPAC name of tris(diphenylphosphanium);phosphate?
The IUPAC name of tris(diphenylphosphanium);phosphate (CID 158131338) is tris(diphenylphosphanium);phosphate.
What is the SMILES notation for tris(diphenylphosphanium);phosphate?
The canonical SMILES for tris(diphenylphosphanium);phosphate is O=P([O-])([O-])[O-].c1ccc([PH2+]c2ccccc2)cc1.c1ccc([PH2+]c2ccccc2)cc1.c1ccc([PH2+]c2ccccc2)cc1.
What is the InChIKey of tris(diphenylphosphanium);phosphate?
The InChIKey is YINWDVPGFLYUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H11P.H3O4P/c3*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(2,3)4/h3*1-10,13H;(H3,1,2,3,4).
What are the key properties of tris(diphenylphosphanium);phosphate?
tris(diphenylphosphanium);phosphate has a molecular weight of 656.58 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(diphenylphosphanium);phosphate is sourced from PubChem (CID 158131338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).