bromopalladium(1+);2-phenylethanamine;triphenylphosphane

C26H25BrNPPd — CID 15973318

IUPACbromopalladium(1+);2-phenylethanamine;triphenylphosphane
SMILESBr[Pd+].NCCc1c[c-]ccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C8H10N.BrH.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-7-6-8-4-2-1-3-5-8;;/h1-15H;1-2,4-5H,6-7,9H2;1H;/q;-1;;+2/p-1
InChIKeyCJJMORPJCNJLHM-UHFFFAOYSA-M
MW568.79 g/mol
LogP5.28
Rot. Bonds5

About bromopalladium(1+);2-phenylethanamine;triphenylphosphane

bromopalladium(1+);2-phenylethanamine;triphenylphosphane (PubChem CID 15973318) has the molecular formula C26H25BrNPPd and a molecular weight of 568.79 g/mol. Its IUPAC name is bromopalladium(1+);2-phenylethanamine;triphenylphosphane.

Molecular Properties

Compound Namebromopalladium(1+);2-phenylethanamine;triphenylphosphane
PubChem CID15973318
Molecular FormulaC26H25BrNPPd
Molecular Weight568.79 g/mol
Exact Mass566.99
IUPAC Namebromopalladium(1+);2-phenylethanamine;triphenylphosphane
SMILESBr[Pd+].NCCc1c[c-]ccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C8H10N.BrH.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-7-6-8-4-2-1-3-5-8;;/h1-15H;1-2,4-5H,6-7,9H2;1H;/q;-1;;+2/p-1
InChIKeyCJJMORPJCNJLHM-UHFFFAOYSA-M
XLogP5.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.79
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bromopalladium(1+);2-phenylethanamine;triphenylphosphane?
The IUPAC name of bromopalladium(1+);2-phenylethanamine;triphenylphosphane (CID 15973318) is bromopalladium(1+);2-phenylethanamine;triphenylphosphane.
What is the SMILES notation for bromopalladium(1+);2-phenylethanamine;triphenylphosphane?
The canonical SMILES for bromopalladium(1+);2-phenylethanamine;triphenylphosphane is Br[Pd+].NCCc1c[c-]ccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bromopalladium(1+);2-phenylethanamine;triphenylphosphane?
The InChIKey is CJJMORPJCNJLHM-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15P.C8H10N.BrH.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-7-6-8-4-2-1-3-5-8;;/h1-15H;1-2,4-5H,6-7,9H2;1H;/q;-1;;+2/p-1.
What are the key properties of bromopalladium(1+);2-phenylethanamine;triphenylphosphane?
bromopalladium(1+);2-phenylethanamine;triphenylphosphane has a molecular weight of 568.79 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromopalladium(1+);2-phenylethanamine;triphenylphosphane is sourced from PubChem (CID 15973318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).