benzyl-diphenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphanium bromide

C32H25BrF3P — CID 87952669

IUPACbenzyl-diphenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphanium bromide
SMILESFC(F)(F)c1ccc(-c2ccccc2[P+](Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Br-]
InChIInChI=1S/C32H25F3P.BrH/c33-32(34,35)27-22-20-26(21-23-27)30-18-10-11-19-31(30)36(28-14-6-2-7-15-28,29-16-8-3-9-17-29)24-25-12-4-1-5-13-25;/h1-23H,24H2;1H/q+1;/p-1
InChIKeyJBTWQVZBSFSJCQ-UHFFFAOYSA-M
MW577.42 g/mol
LogP4.87
Rot. Bonds6

About benzyl-diphenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphanium bromide

benzyl-diphenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphanium bromide (PubChem CID 87952669) has the molecular formula C32H25BrF3P and a molecular weight of 577.42 g/mol. Its IUPAC name is benzyl-diphenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphanium bromide.

Molecular Properties

Compound Namebenzyl-diphenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphanium bromide
PubChem CID87952669
Molecular FormulaC32H25BrF3P
Molecular Weight577.42 g/mol
Exact Mass576.08
IUPAC Namebenzyl-diphenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphanium bromide
SMILESFC(F)(F)c1ccc(-c2ccccc2[P+](Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Br-]
InChIInChI=1S/C32H25F3P.BrH/c33-32(34,35)27-22-20-26(21-23-27)30-18-10-11-19-31(30)36(28-14-6-2-7-15-28,29-16-8-3-9-17-29)24-25-12-4-1-5-13-25;/h1-23H,24H2;1H/q+1;/p-1
InChIKeyJBTWQVZBSFSJCQ-UHFFFAOYSA-M
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.42
LogP ≤ 54.87
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-diphenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphanium bromide?
The IUPAC name of benzyl-diphenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphanium bromide (CID 87952669) is benzyl-diphenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphanium bromide.
What is the SMILES notation for benzyl-diphenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphanium bromide?
The canonical SMILES for benzyl-diphenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphanium bromide is FC(F)(F)c1ccc(-c2ccccc2[P+](Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Br-].
What is the InChIKey of benzyl-diphenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphanium bromide?
The InChIKey is JBTWQVZBSFSJCQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H25F3P.BrH/c33-32(34,35)27-22-20-26(21-23-27)30-18-10-11-19-31(30)36(28-14-6-2-7-15-28,29-16-8-3-9-17-29)24-25-12-4-1-5-13-25;/h1-23H,24H2;1H/q+1;/p-1.
What are the key properties of benzyl-diphenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphanium bromide?
benzyl-diphenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphanium bromide has a molecular weight of 577.42 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-diphenyl-[2-[4-(trifluoromethyl)phenyl]phenyl]phosphanium bromide is sourced from PubChem (CID 87952669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).