triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide

C39H37BrP2+2 — CID 22210440

IUPACtriphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
SMILESBr.c1ccc([P+](CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H36P2.BrH/c1-7-20-34(21-8-1)40(35-22-9-2-10-23-35,36-24-11-3-12-25-36)32-19-33-41(37-26-13-4-14-27-37,38-28-15-5-16-29-38)39-30-17-6-18-31-39;/h1-18,20-31H,19,32-33H2;1H/q+2;
InChIKeyRJUVVNLKTAWSCY-UHFFFAOYSA-N
MW647.58 g/mol
LogP7.94
Rot. Bonds10

About triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide

triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide (PubChem CID 22210440) has the molecular formula C39H37BrP2+2 and a molecular weight of 647.58 g/mol. Its IUPAC name is triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide.

Molecular Properties

Compound Nametriphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
PubChem CID22210440
Molecular FormulaC39H37BrP2+2
Molecular Weight647.58 g/mol
Exact Mass646.15
IUPAC Nametriphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
SMILESBr.c1ccc([P+](CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H36P2.BrH/c1-7-20-34(21-8-1)40(35-22-9-2-10-23-35,36-24-11-3-12-25-36)32-19-33-41(37-26-13-4-14-27-37,38-28-15-5-16-29-38)39-30-17-6-18-31-39;/h1-18,20-31H,19,32-33H2;1H/q+2;
InChIKeyRJUVVNLKTAWSCY-UHFFFAOYSA-N
XLogP7.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.58
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
bis(tetraphenylboranuide);triphenyl(3-triphenylphosphaniumylpropyl)phosphanium
CID 87661840
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
4-iodobutyl(triphenyl)phosphanium
CID 16760510
4-fluorobutyl(triphenyl)phosphanium
CID 21187191
triphenyl(4-sulfanylbutyl)phosphanium bromide
CID 71353664
hexyl(triphenyl)phosphanium
CID 2724570
3-chloropropyl(triphenyl)phosphanium;gold
CID 71396572
5-bromopentyl(triphenyl)phosphanium
CID 53436148
8-bromooctyl(triphenyl)phosphanium
CID 11991463
triphenyl(11-phenylundecyl)phosphanium
CID 23583359

Frequently Asked Questions

What is the IUPAC name of triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide?
The IUPAC name of triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide (CID 22210440) is triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide.
What is the SMILES notation for triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide?
The canonical SMILES for triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide is Br.c1ccc([P+](CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide?
The InChIKey is RJUVVNLKTAWSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36P2.BrH/c1-7-20-34(21-8-1)40(35-22-9-2-10-23-35,36-24-11-3-12-25-36)32-19-33-41(37-26-13-4-14-27-37,38-28-15-5-16-29-38)39-30-17-6-18-31-39;/h1-18,20-31H,19,32-33H2;1H/q+2;.
What are the key properties of triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide?
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide has a molecular weight of 647.58 g/mol, XLogP of 7.94, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide is sourced from PubChem (CID 22210440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).