tetrakis(4-methylphenyl)phosphanium bromide

C28H28BrP — CID 18356132

IUPACtetrakis(4-methylphenyl)phosphanium bromide
SMILESCc1ccc([P+](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[Br-]
InChIInChI=1S/C28H28P.BrH/c1-21-5-13-25(14-6-21)29(26-15-7-22(2)8-16-26,27-17-9-23(3)10-18-27)28-19-11-24(4)12-20-28;/h5-20H,1-4H3;1H/q+1;/p-1
InChIKeyIAXZEWWTGCPRJR-UHFFFAOYSA-M
MW475.41 g/mol
LogP2.54
Rot. Bonds4

About tetrakis(4-methylphenyl)phosphanium bromide

tetrakis(4-methylphenyl)phosphanium bromide (PubChem CID 18356132) has the molecular formula C28H28BrP and a molecular weight of 475.41 g/mol. Its IUPAC name is tetrakis(4-methylphenyl)phosphanium bromide.

Molecular Properties

Compound Nametetrakis(4-methylphenyl)phosphanium bromide
PubChem CID18356132
Molecular FormulaC28H28BrP
Molecular Weight475.41 g/mol
Exact Mass474.11
IUPAC Nametetrakis(4-methylphenyl)phosphanium bromide
SMILESCc1ccc([P+](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[Br-]
InChIInChI=1S/C28H28P.BrH/c1-21-5-13-25(14-6-21)29(26-15-7-22(2)8-16-26,27-17-9-23(3)10-18-27)28-19-11-24(4)12-20-28;/h5-20H,1-4H3;1H/q+1;/p-1
InChIKeyIAXZEWWTGCPRJR-UHFFFAOYSA-M
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tetrakis(4-methylphenyl)phosphanium bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris(tetrakis(4-methylphenyl)phosphanium);borate
CID 160602527
(4-methylphenyl)-tris(2,3,4,5,6-pentadeuteriophenyl)phosphanium
CID 139250642
tetrakis(4-methylphenyl)phosphanium;tetraphenylboranuide
CID 87662093
[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-triphenylphosphanium
CID 58231993
ethane;methyl-tris(4-methylphenyl)phosphanium
CID 145330772
hydroxy-tris(4-methylphenyl)phosphanium
CID 57011859
tetrakis(4-tert-butylphenyl)phosphanium bromide
CID 19005227
methane;pentakis(1,4-xylene)
CID 160760083
cobalt;bis(1,4-xylene)
CID 67859603
platinum;1,4-xylene
CID 173034643
diphenylsilyl-(4-methylphenyl)-triphenyl-λ5-phosphane;(4-methylphenyl)-triphenylphosphanium;bromide;hydrobromide
CID 173305835
potassium;hydride;1,4-xylene
CID 173420414

Frequently Asked Questions

What is the IUPAC name of tetrakis(4-methylphenyl)phosphanium bromide?
The IUPAC name of tetrakis(4-methylphenyl)phosphanium bromide (CID 18356132) is tetrakis(4-methylphenyl)phosphanium bromide.
What is the SMILES notation for tetrakis(4-methylphenyl)phosphanium bromide?
The canonical SMILES for tetrakis(4-methylphenyl)phosphanium bromide is Cc1ccc([P+](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[Br-].
What is the InChIKey of tetrakis(4-methylphenyl)phosphanium bromide?
The InChIKey is IAXZEWWTGCPRJR-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H28P.BrH/c1-21-5-13-25(14-6-21)29(26-15-7-22(2)8-16-26,27-17-9-23(3)10-18-27)28-19-11-24(4)12-20-28;/h5-20H,1-4H3;1H/q+1;/p-1.
What are the key properties of tetrakis(4-methylphenyl)phosphanium bromide?
tetrakis(4-methylphenyl)phosphanium bromide has a molecular weight of 475.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-methylphenyl)phosphanium bromide is sourced from PubChem (CID 18356132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).