naphthalen-1-yl(triphenyl)phosphanium perchlorate

C28H22ClO4P — CID 71356057

IUPACnaphthalen-1-yl(triphenyl)phosphanium perchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C28H22P.ClHO4/c1-4-15-24(16-5-1)29(25-17-6-2-7-18-25,26-19-8-3-9-20-26)28-22-12-14-23-13-10-11-21-27(23)28;2-1(3,4)5/h1-22H;(H,2,3,4,5)/q+1;/p-1
InChIKeyHAOHCXXBJFLRNS-UHFFFAOYSA-M
MW488.91 g/mol
LogP0.70
Rot. Bonds4

About naphthalen-1-yl(triphenyl)phosphanium perchlorate

naphthalen-1-yl(triphenyl)phosphanium perchlorate (PubChem CID 71356057) has the molecular formula C28H22ClO4P and a molecular weight of 488.91 g/mol. Its IUPAC name is naphthalen-1-yl(triphenyl)phosphanium perchlorate.

Molecular Properties

Compound Namenaphthalen-1-yl(triphenyl)phosphanium perchlorate
PubChem CID71356057
Molecular FormulaC28H22ClO4P
Molecular Weight488.91 g/mol
Exact Mass488.09
IUPAC Namenaphthalen-1-yl(triphenyl)phosphanium perchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C28H22P.ClHO4/c1-4-15-24(16-5-1)29(25-17-6-2-7-18-25,26-19-8-3-9-20-26)28-22-12-14-23-13-10-11-21-27(23)28;2-1(3,4)5/h1-22H;(H,2,3,4,5)/q+1;/p-1
InChIKeyHAOHCXXBJFLRNS-UHFFFAOYSA-M
XLogP0.70
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.91
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl(triphenyl)phosphanium perchlorate?
The IUPAC name of naphthalen-1-yl(triphenyl)phosphanium perchlorate (CID 71356057) is naphthalen-1-yl(triphenyl)phosphanium perchlorate.
What is the SMILES notation for naphthalen-1-yl(triphenyl)phosphanium perchlorate?
The canonical SMILES for naphthalen-1-yl(triphenyl)phosphanium perchlorate is [O-][Cl+3]([O-])([O-])[O-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2cccc3ccccc23)cc1.
What is the InChIKey of naphthalen-1-yl(triphenyl)phosphanium perchlorate?
The InChIKey is HAOHCXXBJFLRNS-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H22P.ClHO4/c1-4-15-24(16-5-1)29(25-17-6-2-7-18-25,26-19-8-3-9-20-26)28-22-12-14-23-13-10-11-21-27(23)28;2-1(3,4)5/h1-22H;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of naphthalen-1-yl(triphenyl)phosphanium perchlorate?
naphthalen-1-yl(triphenyl)phosphanium perchlorate has a molecular weight of 488.91 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl(triphenyl)phosphanium perchlorate is sourced from PubChem (CID 71356057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).