naphthalen-1-ylmethyl(triphenyl)phosphanium

C29H24P+ — CID 2734114

IUPACnaphthalen-1-ylmethyl(triphenyl)phosphanium
SMILESc1ccc([P+](Cc2cccc3ccccc23)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H24P/c1-4-16-26(17-5-1)30(27-18-6-2-7-19-27,28-20-8-3-9-21-28)23-25-15-12-14-24-13-10-11-22-29(24)25/h1-22H,23H2/q+1
InChIKeyWWJNUWSDOVCDTN-UHFFFAOYSA-N
MW403.49 g/mol
LogP6.33
Rot. Bonds5

About naphthalen-1-ylmethyl(triphenyl)phosphanium

naphthalen-1-ylmethyl(triphenyl)phosphanium (PubChem CID 2734114) has the molecular formula C29H24P+ and a molecular weight of 403.49 g/mol. Its IUPAC name is naphthalen-1-ylmethyl(triphenyl)phosphanium.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl(triphenyl)phosphanium
PubChem CID2734114
Molecular FormulaC29H24P+
Molecular Weight403.49 g/mol
Exact Mass403.16
IUPAC Namenaphthalen-1-ylmethyl(triphenyl)phosphanium
SMILESc1ccc([P+](Cc2cccc3ccccc23)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H24P/c1-4-16-26(17-5-1)30(27-18-6-2-7-19-27,28-20-8-3-9-21-28)23-25-15-12-14-24-13-10-11-22-29(24)25/h1-22H,23H2/q+1
InChIKeyWWJNUWSDOVCDTN-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 56.33
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

(5-bromonaphthalen-1-yl)methyl-triphenylphosphanium
CID 131887795
(2-bromophenyl)methyl-triphenylphosphanium;hydrobromide
CID 174764929
[2-(2-bromoethyl)phenyl]methyl-triphenylphosphanium
CID 5143606
(2-hydroxyphenyl)methyl-triphenylphosphanium iodide
CID 158901182
(1-nitronaphthalen-2-yl)methyl-triphenylphosphanium
CID 71338092
(2-methylphenyl)methyl-triphenylphosphanium iodide
CID 169490817
(2-ethylphenyl)methyl-triphenylphosphanium bromide
CID 87630511
triphenyl-[(2-propan-2-ylphenyl)methyl]phosphanium
CID 87942469
(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid
CID 10466391
CID 66760372
CID 66760372
(2-methylphenyl)methyl-triphenylphosphanium;trichlorocopper(1-)
CID 19429058
(2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide
CID 175467384

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl(triphenyl)phosphanium?
The IUPAC name of naphthalen-1-ylmethyl(triphenyl)phosphanium (CID 2734114) is naphthalen-1-ylmethyl(triphenyl)phosphanium.
What is the SMILES notation for naphthalen-1-ylmethyl(triphenyl)phosphanium?
The canonical SMILES for naphthalen-1-ylmethyl(triphenyl)phosphanium is c1ccc([P+](Cc2cccc3ccccc23)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of naphthalen-1-ylmethyl(triphenyl)phosphanium?
The InChIKey is WWJNUWSDOVCDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24P/c1-4-16-26(17-5-1)30(27-18-6-2-7-19-27,28-20-8-3-9-21-28)23-25-15-12-14-24-13-10-11-22-29(24)25/h1-22H,23H2/q+1.
What are the key properties of naphthalen-1-ylmethyl(triphenyl)phosphanium?
naphthalen-1-ylmethyl(triphenyl)phosphanium has a molecular weight of 403.49 g/mol, XLogP of 6.33, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl(triphenyl)phosphanium is sourced from PubChem (CID 2734114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).