triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide

C43H44Br2P2 — CID 19082496

IUPACtriphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
SMILES[Br-].[Br-].c1ccc([P+](CCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C43H44P2.2BrH/c1(2-22-36-44(38-24-10-4-11-25-38,39-26-12-5-13-27-39)40-28-14-6-15-29-40)3-23-37-45(41-30-16-7-17-31-41,42-32-18-8-19-33-42)43-34-20-9-21-35-43;;/h4-21,24-35H,1-3,22-23,36-37H2;2*1H/q+2;;/p-2
InChIKeyZKLRSAOKBPNXFN-UHFFFAOYSA-L
MW782.58 g/mol
LogP2.93
Rot. Bonds14

About triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide

triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide (PubChem CID 19082496) has the molecular formula C43H44Br2P2 and a molecular weight of 782.58 g/mol. Its IUPAC name is triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide.

Molecular Properties

Compound Nametriphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
PubChem CID19082496
Molecular FormulaC43H44Br2P2
Molecular Weight782.58 g/mol
Exact Mass780.13
IUPAC Nametriphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
SMILES[Br-].[Br-].c1ccc([P+](CCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C43H44P2.2BrH/c1(2-22-36-44(38-24-10-4-11-25-38,39-26-12-5-13-27-39)40-28-14-6-15-29-40)3-23-37-45(41-30-16-7-17-31-41,42-32-18-8-19-33-42)43-34-20-9-21-35-43;;/h4-21,24-35H,1-3,22-23,36-37H2;2*1H/q+2;;/p-2
InChIKeyZKLRSAOKBPNXFN-UHFFFAOYSA-L
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500782.58
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
azane;6-hydroxyhexyl(triphenyl)phosphanium;bromide
CID 172743171
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859
triphenyl(4-sulfanylbutyl)phosphanium bromide
CID 71353664
hexyl(triphenyl)phosphanium
CID 2724570
8-bromooctyl(triphenyl)phosphanium
CID 11991463
5-bromopentyl(triphenyl)phosphanium
CID 53436148
dodecyl(triphenyl)phosphanium iodide
CID 22245251
triphenyl(undecyl)phosphanium chloride
CID 22921220
triphenyl(11-phenylundecyl)phosphanium
CID 23583359
triphenyl-[6-(6-triphenylphosphaniumylhexyldiselanyl)hexyl]phosphanium
CID 101437845

Frequently Asked Questions

What is the IUPAC name of triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide?
The IUPAC name of triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide (CID 19082496) is triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide.
What is the SMILES notation for triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide?
The canonical SMILES for triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide is [Br-].[Br-].c1ccc([P+](CCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide?
The InChIKey is ZKLRSAOKBPNXFN-UHFFFAOYSA-L. The full InChI is InChI=1S/C43H44P2.2BrH/c1(2-22-36-44(38-24-10-4-11-25-38,39-26-12-5-13-27-39)40-28-14-6-15-29-40)3-23-37-45(41-30-16-7-17-31-41,42-32-18-8-19-33-42)43-34-20-9-21-35-43;;/h4-21,24-35H,1-3,22-23,36-37H2;2*1H/q+2;;/p-2.
What are the key properties of triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide?
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide has a molecular weight of 782.58 g/mol, XLogP of 2.93, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide is sourced from PubChem (CID 19082496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).