hexakis(triphenylphosphanium);hexabromide

C108H96Br6P6 — CID 160734106

IUPAChexakis(triphenylphosphanium);hexabromide
SMILES[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/6C18H15P.6BrH/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;/h6*1-15H;6*1H
InChIKeyLDCVGWWSLRJKSV-UHFFFAOYSA-N
MW2059.22 g/mol
LogP1.09
Rot. Bonds18

About hexakis(triphenylphosphanium);hexabromide

hexakis(triphenylphosphanium);hexabromide (PubChem CID 160734106) has the molecular formula C108H96Br6P6 and a molecular weight of 2059.22 g/mol. Its IUPAC name is hexakis(triphenylphosphanium);hexabromide.

Molecular Properties

Compound Namehexakis(triphenylphosphanium);hexabromide
PubChem CID160734106
Molecular FormulaC108H96Br6P6
Molecular Weight2059.22 g/mol
Exact Mass2052.10
IUPAC Namehexakis(triphenylphosphanium);hexabromide
SMILES[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/6C18H15P.6BrH/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;/h6*1-15H;6*1H
InChIKeyLDCVGWWSLRJKSV-UHFFFAOYSA-N
XLogP1.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms120
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5002059.22
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexakis(triphenylphosphanium);hexabromide?
The IUPAC name of hexakis(triphenylphosphanium);hexabromide (CID 160734106) is hexakis(triphenylphosphanium);hexabromide.
What is the SMILES notation for hexakis(triphenylphosphanium);hexabromide?
The canonical SMILES for hexakis(triphenylphosphanium);hexabromide is [Br-].[Br-].[Br-].[Br-].[Br-].[Br-].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of hexakis(triphenylphosphanium);hexabromide?
The InChIKey is LDCVGWWSLRJKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/6C18H15P.6BrH/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;/h6*1-15H;6*1H.
What are the key properties of hexakis(triphenylphosphanium);hexabromide?
hexakis(triphenylphosphanium);hexabromide has a molecular weight of 2059.22 g/mol, XLogP of 1.09, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(triphenylphosphanium);hexabromide is sourced from PubChem (CID 160734106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).