benzhydryl(triphenyl)phosphanium bromide

C31H26BrP — CID 522488

IUPACbenzhydryl(triphenyl)phosphanium bromide
SMILES[Br-].c1ccc(C(c2ccccc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H26P.BrH/c1-6-16-26(17-7-1)31(27-18-8-2-9-19-27)32(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30;/h1-25,31H;1H/q+1;/p-1
InChIKeyFTSCODUNODCCCT-UHFFFAOYSA-M
MW509.43 g/mol
LogP3.77
Rot. Bonds6

About benzhydryl(triphenyl)phosphanium bromide

benzhydryl(triphenyl)phosphanium bromide (PubChem CID 522488) has the molecular formula C31H26BrP and a molecular weight of 509.43 g/mol. Its IUPAC name is benzhydryl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Namebenzhydryl(triphenyl)phosphanium bromide
PubChem CID522488
Molecular FormulaC31H26BrP
Molecular Weight509.43 g/mol
Exact Mass508.10
IUPAC Namebenzhydryl(triphenyl)phosphanium bromide
SMILES[Br-].c1ccc(C(c2ccccc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H26P.BrH/c1-6-16-26(17-7-1)31(27-18-8-2-9-19-27)32(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30;/h1-25,31H;1H/q+1;/p-1
InChIKeyFTSCODUNODCCCT-UHFFFAOYSA-M
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.43
LogP ≤ 53.77
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 benzhydryl(triphenyl)phosphanium bromide?
The IUPAC name of benzhydryl(triphenyl)phosphanium bromide (CID 522488) is benzhydryl(triphenyl)phosphanium bromide.
What is the SMILES notation for benzhydryl(triphenyl)phosphanium bromide?
The canonical SMILES for benzhydryl(triphenyl)phosphanium bromide is [Br-].c1ccc(C(c2ccccc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzhydryl(triphenyl)phosphanium bromide?
The InChIKey is FTSCODUNODCCCT-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H26P.BrH/c1-6-16-26(17-7-1)31(27-18-8-2-9-19-27)32(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30;/h1-25,31H;1H/q+1;/p-1.
What are the key properties of benzhydryl(triphenyl)phosphanium bromide?
benzhydryl(triphenyl)phosphanium bromide has a molecular weight of 509.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl(triphenyl)phosphanium bromide is sourced from PubChem (CID 522488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).