[(R)-cyano(phenyl)methyl]-triphenylphosphanium

C26H21NP+ — CID 98518444

IUPAC[(R)-cyano(phenyl)methyl]-triphenylphosphanium
SMILESN#C[C@@H](c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21NP/c27-21-26(22-13-5-1-6-14-22)28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26H/q+1/t26-/m0/s1
InChIKeyLMTIYGJMQYYEOA-SANMLTNESA-N
MW378.44 g/mol
LogP5.25
Rot. Bonds5

About [(R)-cyano(phenyl)methyl]-triphenylphosphanium

[(R)-cyano(phenyl)methyl]-triphenylphosphanium (PubChem CID 98518444) has the molecular formula C26H21NP+ and a molecular weight of 378.44 g/mol. Its IUPAC name is [(R)-cyano(phenyl)methyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(R)-cyano(phenyl)methyl]-triphenylphosphanium
PubChem CID98518444
Molecular FormulaC26H21NP+
Molecular Weight378.44 g/mol
Exact Mass378.14
IUPAC Name[(R)-cyano(phenyl)methyl]-triphenylphosphanium
SMILESN#C[C@@H](c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21NP/c27-21-26(22-13-5-1-6-14-22)28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26H/q+1/t26-/m0/s1
InChIKeyLMTIYGJMQYYEOA-SANMLTNESA-N
XLogP5.25
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.44
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(R)-cyano(phenyl)methyl]-triphenylphosphanium?
The IUPAC name of [(R)-cyano(phenyl)methyl]-triphenylphosphanium (CID 98518444) is [(R)-cyano(phenyl)methyl]-triphenylphosphanium.
What is the SMILES notation for [(R)-cyano(phenyl)methyl]-triphenylphosphanium?
The canonical SMILES for [(R)-cyano(phenyl)methyl]-triphenylphosphanium is N#C[C@@H](c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(R)-cyano(phenyl)methyl]-triphenylphosphanium?
The InChIKey is LMTIYGJMQYYEOA-SANMLTNESA-N. The full InChI is InChI=1S/C26H21NP/c27-21-26(22-13-5-1-6-14-22)28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26H/q+1/t26-/m0/s1.
What are the key properties of [(R)-cyano(phenyl)methyl]-triphenylphosphanium?
[(R)-cyano(phenyl)methyl]-triphenylphosphanium has a molecular weight of 378.44 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-cyano(phenyl)methyl]-triphenylphosphanium is sourced from PubChem (CID 98518444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).