triphenyl-[(E)-3-phenylprop-2-enyl]phosphanium bromide

C27H24BrP — CID 6364658

IUPACtriphenyl-[(E)-3-phenylprop-2-enyl]phosphanium bromide
SMILESC(=C/c1ccccc1)\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C27H24P.BrH/c1-5-14-24(15-6-1)16-13-23-28(25-17-7-2-8-18-25,26-19-9-3-10-20-26)27-21-11-4-12-22-27;/h1-22H,23H2;1H/q+1;/p-1/b16-13+;
InChIKeyAPIBROGXENTUGB-ZUQRMPMESA-M
MW459.37 g/mol
LogP2.70
Rot. Bonds6

About triphenyl-[(E)-3-phenylprop-2-enyl]phosphanium bromide

triphenyl-[(E)-3-phenylprop-2-enyl]phosphanium bromide (PubChem CID 6364658) has the molecular formula C27H24BrP and a molecular weight of 459.37 g/mol. Its IUPAC name is triphenyl-[(E)-3-phenylprop-2-enyl]phosphanium bromide.

Molecular Properties

Compound Nametriphenyl-[(E)-3-phenylprop-2-enyl]phosphanium bromide
PubChem CID6364658
Molecular FormulaC27H24BrP
Molecular Weight459.37 g/mol
Exact Mass458.08
IUPAC Nametriphenyl-[(E)-3-phenylprop-2-enyl]phosphanium bromide
SMILESC(=C/c1ccccc1)\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C27H24P.BrH/c1-5-14-24(15-6-1)16-13-23-28(25-17-7-2-8-18-25,26-19-9-3-10-20-26)27-21-11-4-12-22-27;/h1-22H,23H2;1H/q+1;/p-1/b16-13+;
InChIKeyAPIBROGXENTUGB-ZUQRMPMESA-M
XLogP2.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.37
LogP ≤ 52.70
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 triphenyl-[(E)-3-phenylprop-2-enyl]phosphanium bromide?
The IUPAC name of triphenyl-[(E)-3-phenylprop-2-enyl]phosphanium bromide (CID 6364658) is triphenyl-[(E)-3-phenylprop-2-enyl]phosphanium bromide.
What is the SMILES notation for triphenyl-[(E)-3-phenylprop-2-enyl]phosphanium bromide?
The canonical SMILES for triphenyl-[(E)-3-phenylprop-2-enyl]phosphanium bromide is C(=C/c1ccccc1)\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of triphenyl-[(E)-3-phenylprop-2-enyl]phosphanium bromide?
The InChIKey is APIBROGXENTUGB-ZUQRMPMESA-M. The full InChI is InChI=1S/C27H24P.BrH/c1-5-14-24(15-6-1)16-13-23-28(25-17-7-2-8-18-25,26-19-9-3-10-20-26)27-21-11-4-12-22-27;/h1-22H,23H2;1H/q+1;/p-1/b16-13+;.
What are the key properties of triphenyl-[(E)-3-phenylprop-2-enyl]phosphanium bromide?
triphenyl-[(E)-3-phenylprop-2-enyl]phosphanium bromide has a molecular weight of 459.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[(E)-3-phenylprop-2-enyl]phosphanium bromide is sourced from PubChem (CID 6364658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).