benzyl-triphenyl-phosphanyl-λ5-phosphane;hydrobromide

C25H25BrP2 — CID 174822547

IUPACbenzyl-triphenyl-phosphanyl-λ5-phosphane;hydrobromide
SMILESBr.PP(Cc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24P2.BrH/c26-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24,25-19-11-4-12-20-25)21-22-13-5-1-6-14-22;/h1-20H,21,26H2;1H
InChIKeyFXOABQBUVRSFQQ-UHFFFAOYSA-N
MW467.33 g/mol
LogP6.08
Rot. Bonds5

About benzyl-triphenyl-phosphanyl-λ5-phosphane;hydrobromide

benzyl-triphenyl-phosphanyl-λ5-phosphane;hydrobromide (PubChem CID 174822547) has the molecular formula C25H25BrP2 and a molecular weight of 467.33 g/mol. Its IUPAC name is benzyl-triphenyl-phosphanyl-λ5-phosphane;hydrobromide.

Molecular Properties

Compound Namebenzyl-triphenyl-phosphanyl-λ5-phosphane;hydrobromide
PubChem CID174822547
Molecular FormulaC25H25BrP2
Molecular Weight467.33 g/mol
Exact Mass466.06
IUPAC Namebenzyl-triphenyl-phosphanyl-λ5-phosphane;hydrobromide
SMILESBr.PP(Cc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24P2.BrH/c26-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24,25-19-11-4-12-20-25)21-22-13-5-1-6-14-22;/h1-20H,21,26H2;1H
InChIKeyFXOABQBUVRSFQQ-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.33
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl-triphenyl-phosphanyl-λ5-phosphane;hydrobromide?
The IUPAC name of benzyl-triphenyl-phosphanyl-λ5-phosphane;hydrobromide (CID 174822547) is benzyl-triphenyl-phosphanyl-λ5-phosphane;hydrobromide.
What is the SMILES notation for benzyl-triphenyl-phosphanyl-λ5-phosphane;hydrobromide?
The canonical SMILES for benzyl-triphenyl-phosphanyl-λ5-phosphane;hydrobromide is Br.PP(Cc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl-triphenyl-phosphanyl-λ5-phosphane;hydrobromide?
The InChIKey is FXOABQBUVRSFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24P2.BrH/c26-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24,25-19-11-4-12-20-25)21-22-13-5-1-6-14-22;/h1-20H,21,26H2;1H.
What are the key properties of benzyl-triphenyl-phosphanyl-λ5-phosphane;hydrobromide?
benzyl-triphenyl-phosphanyl-λ5-phosphane;hydrobromide has a molecular weight of 467.33 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-triphenyl-phosphanyl-λ5-phosphane;hydrobromide is sourced from PubChem (CID 174822547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).