triphenyl-[3-(propylamino)propyl]phosphanium;dihydrobromide

C24H31Br2NP+ — CID 46905935

IUPACtriphenyl-[3-(propylamino)propyl]phosphanium;dihydrobromide
SMILESBr.Br.CCCNCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29NP.2BrH/c1-2-19-25-20-12-21-26(22-13-6-3-7-14-22,23-15-8-4-9-16-23)24-17-10-5-11-18-24;;/h3-11,13-18,25H,2,12,19-21H2,1H3;2*1H/q+1;;
InChIKeyRMLWGXBMVVDJSI-UHFFFAOYSA-N
MW524.30 g/mol
LogP5.53
Rot. Bonds9

About triphenyl-[3-(propylamino)propyl]phosphanium;dihydrobromide

triphenyl-[3-(propylamino)propyl]phosphanium;dihydrobromide (PubChem CID 46905935) has the molecular formula C24H31Br2NP+ and a molecular weight of 524.30 g/mol. Its IUPAC name is triphenyl-[3-(propylamino)propyl]phosphanium;dihydrobromide.

Molecular Properties

Compound Nametriphenyl-[3-(propylamino)propyl]phosphanium;dihydrobromide
PubChem CID46905935
Molecular FormulaC24H31Br2NP+
Molecular Weight524.30 g/mol
Exact Mass522.06
IUPAC Nametriphenyl-[3-(propylamino)propyl]phosphanium;dihydrobromide
SMILESBr.Br.CCCNCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29NP.2BrH/c1-2-19-25-20-12-21-26(22-13-6-3-7-14-22,23-15-8-4-9-16-23)24-17-10-5-11-18-24;;/h3-11,13-18,25H,2,12,19-21H2,1H3;2*1H/q+1;;
InChIKeyRMLWGXBMVVDJSI-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.30
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenyl-[3-(propylamino)propyl]phosphanium;dihydrobromide?
The IUPAC name of triphenyl-[3-(propylamino)propyl]phosphanium;dihydrobromide (CID 46905935) is triphenyl-[3-(propylamino)propyl]phosphanium;dihydrobromide.
What is the SMILES notation for triphenyl-[3-(propylamino)propyl]phosphanium;dihydrobromide?
The canonical SMILES for triphenyl-[3-(propylamino)propyl]phosphanium;dihydrobromide is Br.Br.CCCNCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl-[3-(propylamino)propyl]phosphanium;dihydrobromide?
The InChIKey is RMLWGXBMVVDJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NP.2BrH/c1-2-19-25-20-12-21-26(22-13-6-3-7-14-22,23-15-8-4-9-16-23)24-17-10-5-11-18-24;;/h3-11,13-18,25H,2,12,19-21H2,1H3;2*1H/q+1;;.
What are the key properties of triphenyl-[3-(propylamino)propyl]phosphanium;dihydrobromide?
triphenyl-[3-(propylamino)propyl]phosphanium;dihydrobromide has a molecular weight of 524.30 g/mol, XLogP of 5.53, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[3-(propylamino)propyl]phosphanium;dihydrobromide is sourced from PubChem (CID 46905935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).