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

C24H23BrNP — CID 88746654

IUPACtriphenyl(2-pyrrol-1-ylethyl)phosphanium bromide
SMILES[Br-].c1ccc([P+](CCn2cccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23NP.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;/h1-19H,20-21H2;1H/q+1;/p-1
InChIKeyMCDTUTDNBHKHFS-UHFFFAOYSA-M
MW436.33 g/mol
LogP1.49
Rot. Bonds6

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

triphenyl(2-pyrrol-1-ylethyl)phosphanium bromide (PubChem CID 88746654) has the molecular formula C24H23BrNP and a molecular weight of 436.33 g/mol. Its IUPAC name is triphenyl(2-pyrrol-1-ylethyl)phosphanium bromide.

Molecular Properties

Compound Nametriphenyl(2-pyrrol-1-ylethyl)phosphanium bromide
PubChem CID88746654
Molecular FormulaC24H23BrNP
Molecular Weight436.33 g/mol
Exact Mass435.08
IUPAC Nametriphenyl(2-pyrrol-1-ylethyl)phosphanium bromide
SMILES[Br-].c1ccc([P+](CCn2cccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23NP.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;/h1-19H,20-21H2;1H/q+1;/p-1
InChIKeyMCDTUTDNBHKHFS-UHFFFAOYSA-M
XLogP1.49
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.33
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
2-hydroxyethyl(triphenyl)phosphanium bromide
CID 2733550
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
triphenyl(2-triphenylphosphaniumylethyl)phosphanium diperiodate
CID 139080930
2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide
CID 102601236
triphenyl(4-sulfanylbutyl)phosphanium bromide
CID 71353664
triphenyl(propyl)phosphanium;hydrochloride
CID 118516578
2-carboxyethyl(triphenyl)phosphanium;hydrochloride
CID 87824769
3,3-dimethylbutyl(triphenyl)phosphanium bromide
CID 71363385
triphenyl-[2-(5-triphenylphosphaniumyl-3,4-dihydropyrazol-2-yl)ethyl]phosphanium bromide
CID 54599228

Frequently Asked Questions

What is the IUPAC name of triphenyl(2-pyrrol-1-ylethyl)phosphanium bromide?
The IUPAC name of triphenyl(2-pyrrol-1-ylethyl)phosphanium bromide (CID 88746654) is triphenyl(2-pyrrol-1-ylethyl)phosphanium bromide.
What is the SMILES notation for triphenyl(2-pyrrol-1-ylethyl)phosphanium bromide?
The canonical SMILES for triphenyl(2-pyrrol-1-ylethyl)phosphanium bromide is [Br-].c1ccc([P+](CCn2cccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl(2-pyrrol-1-ylethyl)phosphanium bromide?
The InChIKey is MCDTUTDNBHKHFS-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H23NP.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;/h1-19H,20-21H2;1H/q+1;/p-1.
What are the key properties of triphenyl(2-pyrrol-1-ylethyl)phosphanium bromide?
triphenyl(2-pyrrol-1-ylethyl)phosphanium bromide has a molecular weight of 436.33 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(2-pyrrol-1-ylethyl)phosphanium bromide is sourced from PubChem (CID 88746654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).