bromo(triphenyl)phosphanium;molecular bromine;bromide

C18H15Br8P — CID 139136387

IUPACbromo(triphenyl)phosphanium;molecular bromine;bromide
SMILESBrBr.BrBr.BrBr.Br[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C18H15BrP.3Br2.BrH/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-2;/h1-15H;;;;1H/q+1;;;;/p-1
InChIKeyFQSKNDLXFKQWAT-UHFFFAOYSA-M
MW901.52 g/mol
LogP6.37
Rot. Bonds3

About bromo(triphenyl)phosphanium;molecular bromine;bromide

bromo(triphenyl)phosphanium;molecular bromine;bromide (PubChem CID 139136387) has the molecular formula C18H15Br8P and a molecular weight of 901.52 g/mol. Its IUPAC name is bromo(triphenyl)phosphanium;molecular bromine;bromide.

Molecular Properties

Compound Namebromo(triphenyl)phosphanium;molecular bromine;bromide
PubChem CID139136387
Molecular FormulaC18H15Br8P
Molecular Weight901.52 g/mol
Exact Mass893.44
IUPAC Namebromo(triphenyl)phosphanium;molecular bromine;bromide
SMILESBrBr.BrBr.BrBr.Br[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C18H15BrP.3Br2.BrH/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-2;/h1-15H;;;;1H/q+1;;;;/p-1
InChIKeyFQSKNDLXFKQWAT-UHFFFAOYSA-M
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.52
LogP ≤ 56.37
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

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2,2-dibromoethyl(triphenyl)phosphanium
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manganese(2+);methyl(triphenyl)phosphanium;dibromide
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triphenyl(triphenylphosphaniumyloxy)phosphanium dibromide
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triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
palladium;tetraphenylphosphanium
CID 76575044
1-bromopropyl(triphenyl)phosphanium
CID 22011137
[dibromo(triphenylphosphaniumyl)methyl]-triphenylphosphanium;dihydrobromide
CID 126956918
methylphosphanyl(triphenyl)phosphanium bromide
CID 174748079
bromo-[2-[2-(dimethylamino)ethyl]phenyl]-diphenylphosphanium
CID 163376033
tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium)
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CID 155673971
CID 155673971

Frequently Asked Questions

What is the IUPAC name of bromo(triphenyl)phosphanium;molecular bromine;bromide?
The IUPAC name of bromo(triphenyl)phosphanium;molecular bromine;bromide (CID 139136387) is bromo(triphenyl)phosphanium;molecular bromine;bromide.
What is the SMILES notation for bromo(triphenyl)phosphanium;molecular bromine;bromide?
The canonical SMILES for bromo(triphenyl)phosphanium;molecular bromine;bromide is BrBr.BrBr.BrBr.Br[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of bromo(triphenyl)phosphanium;molecular bromine;bromide?
The InChIKey is FQSKNDLXFKQWAT-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15BrP.3Br2.BrH/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-2;/h1-15H;;;;1H/q+1;;;;/p-1.
What are the key properties of bromo(triphenyl)phosphanium;molecular bromine;bromide?
bromo(triphenyl)phosphanium;molecular bromine;bromide has a molecular weight of 901.52 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(triphenyl)phosphanium;molecular bromine;bromide is sourced from PubChem (CID 139136387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).