triphenyl(2-triphenylphosphaniumylethyl)phosphanium

C38H34P2+2 — CID 2785216

IUPACtriphenyl(2-triphenylphosphaniumylethyl)phosphanium
SMILESc1ccc([P+](CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H34P2/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,35-23-11-3-12-24-35)31-32-40(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30H,31-32H2/q+2
InChIKeyQPUSETZNLGIEOG-UHFFFAOYSA-N
MW552.64 g/mol
LogP6.97
Rot. Bonds9

About triphenyl(2-triphenylphosphaniumylethyl)phosphanium

triphenyl(2-triphenylphosphaniumylethyl)phosphanium (PubChem CID 2785216) has the molecular formula C38H34P2+2 and a molecular weight of 552.64 g/mol. Its IUPAC name is triphenyl(2-triphenylphosphaniumylethyl)phosphanium.

Molecular Properties

Compound Nametriphenyl(2-triphenylphosphaniumylethyl)phosphanium
PubChem CID2785216
Molecular FormulaC38H34P2+2
Molecular Weight552.64 g/mol
Exact Mass552.21
IUPAC Nametriphenyl(2-triphenylphosphaniumylethyl)phosphanium
SMILESc1ccc([P+](CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H34P2/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,35-23-11-3-12-24-35)31-32-40(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30H,31-32H2/q+2
InChIKeyQPUSETZNLGIEOG-UHFFFAOYSA-N
XLogP6.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.64
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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(2-triphenylphosphaniumylethyl)phosphanium?
The IUPAC name of triphenyl(2-triphenylphosphaniumylethyl)phosphanium (CID 2785216) is triphenyl(2-triphenylphosphaniumylethyl)phosphanium.
What is the SMILES notation for triphenyl(2-triphenylphosphaniumylethyl)phosphanium?
The canonical SMILES for triphenyl(2-triphenylphosphaniumylethyl)phosphanium is c1ccc([P+](CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl(2-triphenylphosphaniumylethyl)phosphanium?
The InChIKey is QPUSETZNLGIEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34P2/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,35-23-11-3-12-24-35)31-32-40(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30H,31-32H2/q+2.
What are the key properties of triphenyl(2-triphenylphosphaniumylethyl)phosphanium?
triphenyl(2-triphenylphosphaniumylethyl)phosphanium has a molecular weight of 552.64 g/mol, XLogP of 6.97, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(2-triphenylphosphaniumylethyl)phosphanium is sourced from PubChem (CID 2785216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).