triphenyl-[phenyl-[phenyl(triphenylphosphaniumyl)phosphanyl]phosphanyl]phosphanium

C48H40P4+2 — CID 139118369

IUPACtriphenyl-[phenyl-[phenyl(triphenylphosphaniumyl)phosphanyl]phosphanyl]phosphanium
SMILESc1ccc([P@]([P@](c2ccccc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H40P4/c1-9-25-41(26-10-1)49(51(43-29-13-3-14-30-43,44-31-15-4-16-32-44)45-33-17-5-18-34-45)50(42-27-11-2-12-28-42)52(46-35-19-6-20-36-46,47-37-21-7-22-38-47)48-39-23-8-24-40-48/h1-40H/q+2/t49-,50+
InChIKeyIJFPXOYWOFOZSU-DKSDCYBHSA-N
MW740.74 g/mol
LogP10.33
Rot. Bonds11

About triphenyl-[phenyl-[phenyl(triphenylphosphaniumyl)phosphanyl]phosphanyl]phosphanium

triphenyl-[phenyl-[phenyl(triphenylphosphaniumyl)phosphanyl]phosphanyl]phosphanium (PubChem CID 139118369) has the molecular formula C48H40P4+2 and a molecular weight of 740.74 g/mol. Its IUPAC name is triphenyl-[phenyl-[phenyl(triphenylphosphaniumyl)phosphanyl]phosphanyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[phenyl-[phenyl(triphenylphosphaniumyl)phosphanyl]phosphanyl]phosphanium
PubChem CID139118369
Molecular FormulaC48H40P4+2
Molecular Weight740.74 g/mol
Exact Mass740.21
IUPAC Nametriphenyl-[phenyl-[phenyl(triphenylphosphaniumyl)phosphanyl]phosphanyl]phosphanium
SMILESc1ccc([P@]([P@](c2ccccc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H40P4/c1-9-25-41(26-10-1)49(51(43-29-13-3-14-30-43,44-31-15-4-16-32-44)45-33-17-5-18-34-45)50(42-27-11-2-12-28-42)52(46-35-19-6-20-36-46,47-37-21-7-22-38-47)48-39-23-8-24-40-48/h1-40H/q+2/t49-,50+
InChIKeyIJFPXOYWOFOZSU-DKSDCYBHSA-N
XLogP10.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.74
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[phenyl-[phenyl(trimethylphosphaniumyl)phosphanyl]phosphanyl]phosphanium
CID 139118371
triphenylphosphane
CID 139056248
platinum;tetrakis(triphenyl(phosphanyl)phosphanium)
CID 173227828
[chloromethyl(triphenylphosphaniumyl)phosphanyl]-triphenylphosphanium
CID 16699993
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776
silane;triphenylphosphane
CID 161037280
tris(triphenylphosphane);hydrobromide
CID 172722268
tris(triphenylphosphane);trihydrochloride
CID 173282987
palladium;bis(triphenylphosphane)
CID 10122028
palladium;tetraphenylphosphanium
CID 76575044
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134

Frequently Asked Questions

What is the IUPAC name of triphenyl-[phenyl-[phenyl(triphenylphosphaniumyl)phosphanyl]phosphanyl]phosphanium?
The IUPAC name of triphenyl-[phenyl-[phenyl(triphenylphosphaniumyl)phosphanyl]phosphanyl]phosphanium (CID 139118369) is triphenyl-[phenyl-[phenyl(triphenylphosphaniumyl)phosphanyl]phosphanyl]phosphanium.
What is the SMILES notation for triphenyl-[phenyl-[phenyl(triphenylphosphaniumyl)phosphanyl]phosphanyl]phosphanium?
The canonical SMILES for triphenyl-[phenyl-[phenyl(triphenylphosphaniumyl)phosphanyl]phosphanyl]phosphanium is c1ccc([P@]([P@](c2ccccc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl-[phenyl-[phenyl(triphenylphosphaniumyl)phosphanyl]phosphanyl]phosphanium?
The InChIKey is IJFPXOYWOFOZSU-DKSDCYBHSA-N. The full InChI is InChI=1S/C48H40P4/c1-9-25-41(26-10-1)49(51(43-29-13-3-14-30-43,44-31-15-4-16-32-44)45-33-17-5-18-34-45)50(42-27-11-2-12-28-42)52(46-35-19-6-20-36-46,47-37-21-7-22-38-47)48-39-23-8-24-40-48/h1-40H/q+2/t49-,50+.
What are the key properties of triphenyl-[phenyl-[phenyl(triphenylphosphaniumyl)phosphanyl]phosphanyl]phosphanium?
triphenyl-[phenyl-[phenyl(triphenylphosphaniumyl)phosphanyl]phosphanyl]phosphanium has a molecular weight of 740.74 g/mol, XLogP of 10.33, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[phenyl-[phenyl(triphenylphosphaniumyl)phosphanyl]phosphanyl]phosphanium is sourced from PubChem (CID 139118369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).