tris(naphthalen-2-yl(triphenyl)phosphanium);tribromide

C84H66Br3P3 — CID 159751950

IUPACtris(naphthalen-2-yl(triphenyl)phosphanium);tribromide
SMILES[Br-].[Br-].[Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccc3ccccc3c2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccc3ccccc3c2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/3C28H22P.3BrH/c3*1-4-14-25(15-5-1)29(26-16-6-2-7-17-26,27-18-8-3-9-19-27)28-21-20-23-12-10-11-13-24(23)22-28;;;/h3*1-22H;3*1H/q3*+1;;;/p-3
InChIKeySFINJELKLCESHK-UHFFFAOYSA-K
MW1408.09 g/mol
LogP7.39
Rot. Bonds12

About tris(naphthalen-2-yl(triphenyl)phosphanium);tribromide

tris(naphthalen-2-yl(triphenyl)phosphanium);tribromide (PubChem CID 159751950) has the molecular formula C84H66Br3P3 and a molecular weight of 1408.09 g/mol. Its IUPAC name is tris(naphthalen-2-yl(triphenyl)phosphanium);tribromide.

Molecular Properties

Compound Nametris(naphthalen-2-yl(triphenyl)phosphanium);tribromide
PubChem CID159751950
Molecular FormulaC84H66Br3P3
Molecular Weight1408.09 g/mol
Exact Mass1404.19
IUPAC Nametris(naphthalen-2-yl(triphenyl)phosphanium);tribromide
SMILES[Br-].[Br-].[Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccc3ccccc3c2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccc3ccccc3c2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/3C28H22P.3BrH/c3*1-4-14-25(15-5-1)29(26-16-6-2-7-17-26,27-18-8-3-9-19-27)28-21-20-23-12-10-11-13-24(23)22-28;;;/h3*1-22H;3*1H/q3*+1;;;/p-3
InChIKeySFINJELKLCESHK-UHFFFAOYSA-K
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001408.09
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tris(naphthalen-2-yl(triphenyl)phosphanium);tribromide 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

anthracene;benzene;naphthalene
CID 142706236
tetraphenylphosphanium;trifluorophosphane
CID 175419552
benzo[a]anthracen-1-yl(dioxido)borane;bis(tetraphenylphosphanium)
CID 22666779
CID 15647766
CID 15647766
ethane;2-propan-2-ylnaphthalene
CID 142226111
aniline;naphthalen-2-amine
CID 158733233
cumene;ethane;methane;2-propan-2-ylnaphthalene
CID 158431045
2-propan-2-ylpentacene
CID 153380535
naphthalene
CID 21288458
hydrogen borate;bis(tetraphenylphosphanium)
CID 174383886
naphthalene
CID 10240860
benzene;2-methylnaphthalene
CID 159438891

Frequently Asked Questions

What is the IUPAC name of tris(naphthalen-2-yl(triphenyl)phosphanium);tribromide?
The IUPAC name of tris(naphthalen-2-yl(triphenyl)phosphanium);tribromide (CID 159751950) is tris(naphthalen-2-yl(triphenyl)phosphanium);tribromide.
What is the SMILES notation for tris(naphthalen-2-yl(triphenyl)phosphanium);tribromide?
The canonical SMILES for tris(naphthalen-2-yl(triphenyl)phosphanium);tribromide is [Br-].[Br-].[Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccc3ccccc3c2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccc3ccccc3c2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of tris(naphthalen-2-yl(triphenyl)phosphanium);tribromide?
The InChIKey is SFINJELKLCESHK-UHFFFAOYSA-K. The full InChI is InChI=1S/3C28H22P.3BrH/c3*1-4-14-25(15-5-1)29(26-16-6-2-7-17-26,27-18-8-3-9-19-27)28-21-20-23-12-10-11-13-24(23)22-28;;;/h3*1-22H;3*1H/q3*+1;;;/p-3.
What are the key properties of tris(naphthalen-2-yl(triphenyl)phosphanium);tribromide?
tris(naphthalen-2-yl(triphenyl)phosphanium);tribromide has a molecular weight of 1408.09 g/mol, XLogP of 7.39, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(naphthalen-2-yl(triphenyl)phosphanium);tribromide is sourced from PubChem (CID 159751950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).