triphenyl(2-pyrrolidin-1-ylethyl)phosphanium

C24H27NP+ — CID 19085442

IUPACtriphenyl(2-pyrrolidin-1-ylethyl)phosphanium
SMILESc1ccc([P+](CCN2CCCC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H27NP/c1-4-12-22(13-5-1)26(23-14-6-2-7-15-23,24-16-8-3-9-17-24)21-20-25-18-10-11-19-25/h1-9,12-17H,10-11,18-21H2/q+1
InChIKeyFFJHZIWRAIFIFJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.08
Rot. Bonds6

About triphenyl(2-pyrrolidin-1-ylethyl)phosphanium

triphenyl(2-pyrrolidin-1-ylethyl)phosphanium (PubChem CID 19085442) has the molecular formula C24H27NP+ and a molecular weight of 360.46 g/mol. Its IUPAC name is triphenyl(2-pyrrolidin-1-ylethyl)phosphanium.

Molecular Properties

Compound Nametriphenyl(2-pyrrolidin-1-ylethyl)phosphanium
PubChem CID19085442
Molecular FormulaC24H27NP+
Molecular Weight360.46 g/mol
Exact Mass360.19
IUPAC Nametriphenyl(2-pyrrolidin-1-ylethyl)phosphanium
SMILESc1ccc([P+](CCN2CCCC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H27NP/c1-4-12-22(13-5-1)26(23-14-6-2-7-15-23,24-16-8-3-9-17-24)21-20-25-18-10-11-19-25/h1-9,12-17H,10-11,18-21H2/q+1
InChIKeyFFJHZIWRAIFIFJ-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-pyrrolidin-1-ylethyl)phosphanium?
The IUPAC name of triphenyl(2-pyrrolidin-1-ylethyl)phosphanium (CID 19085442) is triphenyl(2-pyrrolidin-1-ylethyl)phosphanium.
What is the SMILES notation for triphenyl(2-pyrrolidin-1-ylethyl)phosphanium?
The canonical SMILES for triphenyl(2-pyrrolidin-1-ylethyl)phosphanium is c1ccc([P+](CCN2CCCC2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl(2-pyrrolidin-1-ylethyl)phosphanium?
The InChIKey is FFJHZIWRAIFIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NP/c1-4-12-22(13-5-1)26(23-14-6-2-7-15-23,24-16-8-3-9-17-24)21-20-25-18-10-11-19-25/h1-9,12-17H,10-11,18-21H2/q+1.
What are the key properties of triphenyl(2-pyrrolidin-1-ylethyl)phosphanium?
triphenyl(2-pyrrolidin-1-ylethyl)phosphanium has a molecular weight of 360.46 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(2-pyrrolidin-1-ylethyl)phosphanium is sourced from PubChem (CID 19085442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).