(5-bromonaphthalen-1-yl)methyl-triphenylphosphanium

C29H23BrP+ — CID 131887795

IUPAC(5-bromonaphthalen-1-yl)methyl-triphenylphosphanium
SMILESBrc1cccc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cccc12
InChIInChI=1S/C29H23BrP/c30-29-21-11-19-27-23(12-10-20-28(27)29)22-31(24-13-4-1-5-14-24,25-15-6-2-7-16-25)26-17-8-3-9-18-26/h1-21H,22H2/q+1
InChIKeyMNKZLSNLLMXIEY-UHFFFAOYSA-N
MW482.38 g/mol
LogP7.10
Rot. Bonds5

About (5-bromonaphthalen-1-yl)methyl-triphenylphosphanium

(5-bromonaphthalen-1-yl)methyl-triphenylphosphanium (PubChem CID 131887795) has the molecular formula C29H23BrP+ and a molecular weight of 482.38 g/mol. Its IUPAC name is (5-bromonaphthalen-1-yl)methyl-triphenylphosphanium.

Molecular Properties

Compound Name(5-bromonaphthalen-1-yl)methyl-triphenylphosphanium
PubChem CID131887795
Molecular FormulaC29H23BrP+
Molecular Weight482.38 g/mol
Exact Mass481.07
IUPAC Name(5-bromonaphthalen-1-yl)methyl-triphenylphosphanium
SMILESBrc1cccc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cccc12
InChIInChI=1S/C29H23BrP/c30-29-21-11-19-27-23(12-10-20-28(27)29)22-31(24-13-4-1-5-14-24,25-15-6-2-7-16-25)26-17-8-3-9-18-26/h1-21H,22H2/q+1
InChIKeyMNKZLSNLLMXIEY-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.38
LogP ≤ 57.10
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

naphthalen-1-ylmethyl(triphenyl)phosphanium
CID 2734114
(2-bromophenyl)methyl-triphenylphosphanium;hydrobromide
CID 174764929
[2-(2-bromoethyl)phenyl]methyl-triphenylphosphanium
CID 5143606
(2-hydroxyphenyl)methyl-triphenylphosphanium iodide
CID 158901182
1-bromo-5-(2-bromoethyl)naphthalene
CID 174470711
(2-ethylphenyl)methyl-triphenylphosphanium bromide
CID 87630511
(2-methylphenyl)methyl-triphenylphosphanium iodide
CID 169490817
(2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide
CID 175467384
[3-bromo-2-[2-(4-chloro-2-fluorophenyl)-2-oxoethoxy]phenyl]methyl-triphenylphosphanium
CID 169055247
triphenyl-[(2-propan-2-ylphenyl)methyl]phosphanium
CID 87942469
(2-bromo-4-tert-butylphenyl)methyl-triphenylphosphanium bromide
CID 11226851
1-bromo-4-[(4-bromonaphthalen-1-yl)methyl]naphthalene
CID 59060546

Frequently Asked Questions

What is the IUPAC name of (5-bromonaphthalen-1-yl)methyl-triphenylphosphanium?
The IUPAC name of (5-bromonaphthalen-1-yl)methyl-triphenylphosphanium (CID 131887795) is (5-bromonaphthalen-1-yl)methyl-triphenylphosphanium.
What is the SMILES notation for (5-bromonaphthalen-1-yl)methyl-triphenylphosphanium?
The canonical SMILES for (5-bromonaphthalen-1-yl)methyl-triphenylphosphanium is Brc1cccc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cccc12.
What is the InChIKey of (5-bromonaphthalen-1-yl)methyl-triphenylphosphanium?
The InChIKey is MNKZLSNLLMXIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23BrP/c30-29-21-11-19-27-23(12-10-20-28(27)29)22-31(24-13-4-1-5-14-24,25-15-6-2-7-16-25)26-17-8-3-9-18-26/h1-21H,22H2/q+1.
What are the key properties of (5-bromonaphthalen-1-yl)methyl-triphenylphosphanium?
(5-bromonaphthalen-1-yl)methyl-triphenylphosphanium has a molecular weight of 482.38 g/mol, XLogP of 7.10, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromonaphthalen-1-yl)methyl-triphenylphosphanium is sourced from PubChem (CID 131887795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).