triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dibromide

C44H38Br2P2 — CID 2723797

IUPACtriphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dibromide
SMILES[Br-].[Br-].c1ccc([P+](Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C44H38P2.2BrH/c1-7-19-39(20-8-1)45(40-21-9-2-10-22-40,41-23-11-3-12-24-41)35-37-31-33-38(34-32-37)36-46(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44;;/h1-34H,35-36H2;2*1H/q+2;;/p-2
InChIKeyZZQVVCXWFPGKJD-UHFFFAOYSA-L
MW788.54 g/mol
LogP2.68
Rot. Bonds10

About triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dibromide

triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dibromide (PubChem CID 2723797) has the molecular formula C44H38Br2P2 and a molecular weight of 788.54 g/mol. Its IUPAC name is triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dibromide.

Molecular Properties

Compound Nametriphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dibromide
PubChem CID2723797
Molecular FormulaC44H38Br2P2
Molecular Weight788.54 g/mol
Exact Mass786.08
IUPAC Nametriphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dibromide
SMILES[Br-].[Br-].c1ccc([P+](Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C44H38P2.2BrH/c1-7-19-39(20-8-1)45(40-21-9-2-10-22-40,41-23-11-3-12-24-41)35-37-31-33-38(34-32-37)36-46(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44;;/h1-34H,35-36H2;2*1H/q+2;;/p-2
InChIKeyZZQVVCXWFPGKJD-UHFFFAOYSA-L
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500788.54
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dibromide 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

Benzyltriphenylphosphonium chloride
CID 70671
(p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride
CID 168940
Phosphonium, ((4-methylphenyl)methyl)triphenyl-, chloride (1:1)
CID 150925
Phosphonium, ((4-methylphenyl)methyl)triphenyl-, bromide (1:1)
CID 11797662
Bis(2-(diphenylphosphino)ethyl)phenylphosphine
CID 90192
Benzhydryltriphenylphosphonium bromide
CID 522488
Benzyltriphenylphosphonium bromide
CID 2734970
Phosphonium, triphenyl(triphenylmethyl)-, chloride
CID 85420
Cinnamyltriphenylphosphonium bromide
CID 6364658
Phosphonium, triphenyl(3-phenyl-2-propen-1-yl)-, chloride (1:1)
CID 6436301
Phosphine, 1,1'-[[1,1'-biphenyl]-2,2'-diylbis(methylene)]bis[1,1-diphenyl-
CID 10985391
Triphenyl(2-(triphenylphosphoranyl)ethyl)phosphorane
CID 2785216

Frequently Asked Questions

What is the IUPAC name of triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dibromide?
The IUPAC name of triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dibromide (CID 2723797) is triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dibromide.
What is the SMILES notation for triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dibromide?
The canonical SMILES for triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dibromide is [Br-].[Br-].c1ccc([P+](Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dibromide?
The InChIKey is ZZQVVCXWFPGKJD-UHFFFAOYSA-L. The full InChI is InChI=1S/C44H38P2.2BrH/c1-7-19-39(20-8-1)45(40-21-9-2-10-22-40,41-23-11-3-12-24-41)35-37-31-33-38(34-32-37)36-46(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44;;/h1-34H,35-36H2;2*1H/q+2;;/p-2.
What are the key properties of triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dibromide?
triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dibromide has a molecular weight of 788.54 g/mol, XLogP of 2.68, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dibromide is sourced from PubChem (CID 2723797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).