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

C24H27BrNP — CID 19085441

IUPACtriphenyl(2-pyrrolidin-1-ylethyl)phosphanium bromide
SMILES[Br-].c1ccc([P+](CCN2CCCC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H27NP.BrH/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;1H/q+1;/p-1
InChIKeyHKLRVZSQJCQGQN-UHFFFAOYSA-M
MW440.37 g/mol
LogP1.08
Rot. Bonds6

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

triphenyl(2-pyrrolidin-1-ylethyl)phosphanium bromide (PubChem CID 19085441) has the molecular formula C24H27BrNP and a molecular weight of 440.37 g/mol. Its IUPAC name is triphenyl(2-pyrrolidin-1-ylethyl)phosphanium bromide.

Molecular Properties

Compound Nametriphenyl(2-pyrrolidin-1-ylethyl)phosphanium bromide
PubChem CID19085441
Molecular FormulaC24H27BrNP
Molecular Weight440.37 g/mol
Exact Mass439.11
IUPAC Nametriphenyl(2-pyrrolidin-1-ylethyl)phosphanium bromide
SMILES[Br-].c1ccc([P+](CCN2CCCC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H27NP.BrH/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;1H/q+1;/p-1
InChIKeyHKLRVZSQJCQGQN-UHFFFAOYSA-M
XLogP1.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.37
LogP ≤ 51.08
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 bromide?
The IUPAC name of triphenyl(2-pyrrolidin-1-ylethyl)phosphanium bromide (CID 19085441) is triphenyl(2-pyrrolidin-1-ylethyl)phosphanium bromide.
What is the SMILES notation for triphenyl(2-pyrrolidin-1-ylethyl)phosphanium bromide?
The canonical SMILES for triphenyl(2-pyrrolidin-1-ylethyl)phosphanium bromide is [Br-].c1ccc([P+](CCN2CCCC2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl(2-pyrrolidin-1-ylethyl)phosphanium bromide?
The InChIKey is HKLRVZSQJCQGQN-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H27NP.BrH/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;1H/q+1;/p-1.
What are the key properties of triphenyl(2-pyrrolidin-1-ylethyl)phosphanium bromide?
triphenyl(2-pyrrolidin-1-ylethyl)phosphanium bromide has a molecular weight of 440.37 g/mol, XLogP of 1.08, 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 bromide is sourced from PubChem (CID 19085441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).