cyano(triphenyl)phosphanium bromide

C19H15BrNP — CID 155068571

IUPACcyano(triphenyl)phosphanium bromide
SMILESN#C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C19H15NP.BrH/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H;1H/q+1;/p-1
InChIKeyDFLZCRDNJPLBBO-UHFFFAOYSA-M
MW368.21 g/mol
LogP0.47
Rot. Bonds3

About cyano(triphenyl)phosphanium bromide

cyano(triphenyl)phosphanium bromide (PubChem CID 155068571) has the molecular formula C19H15BrNP and a molecular weight of 368.21 g/mol. Its IUPAC name is cyano(triphenyl)phosphanium bromide.

Molecular Properties

Compound Namecyano(triphenyl)phosphanium bromide
PubChem CID155068571
Molecular FormulaC19H15BrNP
Molecular Weight368.21 g/mol
Exact Mass367.01
IUPAC Namecyano(triphenyl)phosphanium bromide
SMILESN#C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C19H15NP.BrH/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H;1H/q+1;/p-1
InChIKeyDFLZCRDNJPLBBO-UHFFFAOYSA-M
XLogP0.47
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.21
LogP ≤ 50.47
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 cyano(triphenyl)phosphanium bromide?
The IUPAC name of cyano(triphenyl)phosphanium bromide (CID 155068571) is cyano(triphenyl)phosphanium bromide.
What is the SMILES notation for cyano(triphenyl)phosphanium bromide?
The canonical SMILES for cyano(triphenyl)phosphanium bromide is N#C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of cyano(triphenyl)phosphanium bromide?
The InChIKey is DFLZCRDNJPLBBO-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H15NP.BrH/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H;1H/q+1;/p-1.
What are the key properties of cyano(triphenyl)phosphanium bromide?
cyano(triphenyl)phosphanium bromide has a molecular weight of 368.21 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyano(triphenyl)phosphanium bromide is sourced from PubChem (CID 155068571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).