benzyl(triphenyl)phosphanium;phosphane;iodide

C25H25IP2 — CID 174958037

IUPACbenzyl(triphenyl)phosphanium;phosphane;iodide
SMILESP.[I-].c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P.HI.H3P/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;;/h1-20H,21H2;1H;1H3/q+1;;/p-1
InChIKeyYEOCAWNODCDXPK-UHFFFAOYSA-M
MW514.33 g/mol
LogP2.24
Rot. Bonds5

About benzyl(triphenyl)phosphanium;phosphane;iodide

benzyl(triphenyl)phosphanium;phosphane;iodide (PubChem CID 174958037) has the molecular formula C25H25IP2 and a molecular weight of 514.33 g/mol. Its IUPAC name is benzyl(triphenyl)phosphanium;phosphane;iodide.

Molecular Properties

Compound Namebenzyl(triphenyl)phosphanium;phosphane;iodide
PubChem CID174958037
Molecular FormulaC25H25IP2
Molecular Weight514.33 g/mol
Exact Mass514.05
IUPAC Namebenzyl(triphenyl)phosphanium;phosphane;iodide
SMILESP.[I-].c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P.HI.H3P/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;;/h1-20H,21H2;1H;1H3/q+1;;/p-1
InChIKeyYEOCAWNODCDXPK-UHFFFAOYSA-M
XLogP2.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.33
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium
CID 91315511
triphenyl-[[4-(4-phenylbuta-1,3-diynyl)phenyl]methyl]phosphanium iodide
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[4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium
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benzyl-[4-(2-hydroxypropyl)phenyl]-diphenylphosphanium bromide
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Frequently Asked Questions

What is the IUPAC name of benzyl(triphenyl)phosphanium;phosphane;iodide?
The IUPAC name of benzyl(triphenyl)phosphanium;phosphane;iodide (CID 174958037) is benzyl(triphenyl)phosphanium;phosphane;iodide.
What is the SMILES notation for benzyl(triphenyl)phosphanium;phosphane;iodide?
The canonical SMILES for benzyl(triphenyl)phosphanium;phosphane;iodide is P.[I-].c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzyl(triphenyl)phosphanium;phosphane;iodide?
The InChIKey is YEOCAWNODCDXPK-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H22P.HI.H3P/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;;/h1-20H,21H2;1H;1H3/q+1;;/p-1.
What are the key properties of benzyl(triphenyl)phosphanium;phosphane;iodide?
benzyl(triphenyl)phosphanium;phosphane;iodide has a molecular weight of 514.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(triphenyl)phosphanium;phosphane;iodide is sourced from PubChem (CID 174958037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).