palladium;triphenyl-[(E)-2-phenylethenyl]phosphanium;triphenylphosphane;bromide

C44H37BrP2Pd — CID 11147193

IUPACpalladium;triphenyl-[(E)-2-phenylethenyl]phosphanium;triphenylphosphane;bromide
SMILESC(=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1.[Br-].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22P.C18H15P.BrH.Pd/c1-5-13-23(14-6-1)21-22-27(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-22H;1-15H;1H;/q+1;;;/p-1/b22-21+;;;
InChIKeyAEBHJDZNRBKVFI-ZRUFZDNISA-M
MW814.05 g/mol
LogP6.10
Rot. Bonds8

About palladium;triphenyl-[(E)-2-phenylethenyl]phosphanium;triphenylphosphane;bromide

palladium;triphenyl-[(E)-2-phenylethenyl]phosphanium;triphenylphosphane;bromide (PubChem CID 11147193) has the molecular formula C44H37BrP2Pd and a molecular weight of 814.05 g/mol. Its IUPAC name is palladium;triphenyl-[(E)-2-phenylethenyl]phosphanium;triphenylphosphane;bromide.

Molecular Properties

Compound Namepalladium;triphenyl-[(E)-2-phenylethenyl]phosphanium;triphenylphosphane;bromide
PubChem CID11147193
Molecular FormulaC44H37BrP2Pd
Molecular Weight814.05 g/mol
Exact Mass812.06
IUPAC Namepalladium;triphenyl-[(E)-2-phenylethenyl]phosphanium;triphenylphosphane;bromide
SMILESC(=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1.[Br-].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22P.C18H15P.BrH.Pd/c1-5-13-23(14-6-1)21-22-27(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-22H;1-15H;1H;/q+1;;;/p-1/b22-21+;;;
InChIKeyAEBHJDZNRBKVFI-ZRUFZDNISA-M
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.05
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

triphenyl-[(E)-2-phenylethenyl]phosphanium
CID 6332815
[4-[(Z)-2-[4-[(Z)-2-[4-[(E)-2-(4-diphenylphosphanylphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-diphenylphosphane
CID 102073686
palladium;bis(triphenylphosphane)
CID 10122028
pentakis(palladium);hexadecakis(triphenylphosphane)
CID 173116735
copper(1+);triphenylphosphane;bromide
CID 87491658
palladium;ruthenium;triphenylphosphane
CID 174683160
triphenylphosphane
CID 139056248
tris[4-[4-[(E)-2-phenylethenyl]phenyl]phenyl]phosphane
CID 59742138
iodo-diphenyl-[(E)-2-phenylethenyl]phosphanium
CID 18626597
diphenylphosphanylmethyl-diphenyl-[(E)-2-phenylethenyl]phosphanium
CID 100937997
(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-one;triphenylphosphane
CID 87515115
silane;triphenylphosphane
CID 161037280

Frequently Asked Questions

What is the IUPAC name of palladium;triphenyl-[(E)-2-phenylethenyl]phosphanium;triphenylphosphane;bromide?
The IUPAC name of palladium;triphenyl-[(E)-2-phenylethenyl]phosphanium;triphenylphosphane;bromide (CID 11147193) is palladium;triphenyl-[(E)-2-phenylethenyl]phosphanium;triphenylphosphane;bromide.
What is the SMILES notation for palladium;triphenyl-[(E)-2-phenylethenyl]phosphanium;triphenylphosphane;bromide?
The canonical SMILES for palladium;triphenyl-[(E)-2-phenylethenyl]phosphanium;triphenylphosphane;bromide is C(=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1.[Br-].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of palladium;triphenyl-[(E)-2-phenylethenyl]phosphanium;triphenylphosphane;bromide?
The InChIKey is AEBHJDZNRBKVFI-ZRUFZDNISA-M. The full InChI is InChI=1S/C26H22P.C18H15P.BrH.Pd/c1-5-13-23(14-6-1)21-22-27(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-22H;1-15H;1H;/q+1;;;/p-1/b22-21+;;;.
What are the key properties of palladium;triphenyl-[(E)-2-phenylethenyl]phosphanium;triphenylphosphane;bromide?
palladium;triphenyl-[(E)-2-phenylethenyl]phosphanium;triphenylphosphane;bromide has a molecular weight of 814.05 g/mol, XLogP of 6.10, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for palladium;triphenyl-[(E)-2-phenylethenyl]phosphanium;triphenylphosphane;bromide is sourced from PubChem (CID 11147193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).