bromopalladium(1+);chloropalladium(1+);bis((2-methanidylphenyl)methanol);bis(triphenylphosphanium)

C52H50BrClO2P2Pd2+2 — CID 157479759

IUPACbromopalladium(1+);chloropalladium(1+);bis((2-methanidylphenyl)methanol);bis(triphenylphosphanium)
SMILESBr[Pd+].Cl[Pd+].[CH2-]c1ccccc1CO.[CH2-]c1ccccc1CO.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2C8H9O.BrH.ClH.2Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-7-4-2-3-5-8(7)6-9;;;;/h2*1-15H;2*2-5,9H,1,6H2;2*1H;;/q;;2*-1;;;2*+2
InChIKeyZGWVVRSIAKAXMJ-UHFFFAOYSA-N
MW1097.12 g/mol
LogP10.61
Rot. Bonds8

About bromopalladium(1+);chloropalladium(1+);bis((2-methanidylphenyl)methanol);bis(triphenylphosphanium)

bromopalladium(1+);chloropalladium(1+);bis((2-methanidylphenyl)methanol);bis(triphenylphosphanium) (PubChem CID 157479759) has the molecular formula C52H50BrClO2P2Pd2+2 and a molecular weight of 1097.12 g/mol. Its IUPAC name is bromopalladium(1+);chloropalladium(1+);bis((2-methanidylphenyl)methanol);bis(triphenylphosphanium).

Molecular Properties

Compound Namebromopalladium(1+);chloropalladium(1+);bis((2-methanidylphenyl)methanol);bis(triphenylphosphanium)
PubChem CID157479759
Molecular FormulaC52H50BrClO2P2Pd2+2
Molecular Weight1097.12 g/mol
Exact Mass1094.02
IUPAC Namebromopalladium(1+);chloropalladium(1+);bis((2-methanidylphenyl)methanol);bis(triphenylphosphanium)
SMILESBr[Pd+].Cl[Pd+].[CH2-]c1ccccc1CO.[CH2-]c1ccccc1CO.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2C8H9O.BrH.ClH.2Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-7-4-2-3-5-8(7)6-9;;;;/h2*1-15H;2*2-5,9H,1,6H2;2*1H;;/q;;2*-1;;;2*+2
InChIKeyZGWVVRSIAKAXMJ-UHFFFAOYSA-N
XLogP10.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001097.12
LogP ≤ 510.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

[2-(hydroxymethyl)phenyl]methanol;methane
CID 143282166
palladium;triphenylphosphanium
CID 22229115
tetrachloroosmium;bis(triphenylphosphanium)
CID 6389214
2-(hydroxymethyl)phenol;methane
CID 157439231
CID 137424646
CID 137424646
[2-(trichloromethyl)phenyl]methanol
CID 20975681
carbamic acid;naphthalen-1-ylmethanol
CID 71402043
methanone;ruthenium(4+);triphenylphosphanium
CID 87465370
dilithium;2-(2-methanidylphenyl)ethanolate
CID 11263573
2-(2-methanidylphenyl)ethanamine;palladium
CID 175142647
(2-(111C)methoxyphenyl)methanol
CID 59897789
2-(hydroxymethyl)-6-phenylbenzenesulfonic acid
CID 20561624

Frequently Asked Questions

What is the IUPAC name of bromopalladium(1+);chloropalladium(1+);bis((2-methanidylphenyl)methanol);bis(triphenylphosphanium)?
The IUPAC name of bromopalladium(1+);chloropalladium(1+);bis((2-methanidylphenyl)methanol);bis(triphenylphosphanium) (CID 157479759) is bromopalladium(1+);chloropalladium(1+);bis((2-methanidylphenyl)methanol);bis(triphenylphosphanium).
What is the SMILES notation for bromopalladium(1+);chloropalladium(1+);bis((2-methanidylphenyl)methanol);bis(triphenylphosphanium)?
The canonical SMILES for bromopalladium(1+);chloropalladium(1+);bis((2-methanidylphenyl)methanol);bis(triphenylphosphanium) is Br[Pd+].Cl[Pd+].[CH2-]c1ccccc1CO.[CH2-]c1ccccc1CO.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bromopalladium(1+);chloropalladium(1+);bis((2-methanidylphenyl)methanol);bis(triphenylphosphanium)?
The InChIKey is ZGWVVRSIAKAXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15P.2C8H9O.BrH.ClH.2Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-7-4-2-3-5-8(7)6-9;;;;/h2*1-15H;2*2-5,9H,1,6H2;2*1H;;/q;;2*-1;;;2*+2.
What are the key properties of bromopalladium(1+);chloropalladium(1+);bis((2-methanidylphenyl)methanol);bis(triphenylphosphanium)?
bromopalladium(1+);chloropalladium(1+);bis((2-methanidylphenyl)methanol);bis(triphenylphosphanium) has a molecular weight of 1097.12 g/mol, XLogP of 10.61, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromopalladium(1+);chloropalladium(1+);bis((2-methanidylphenyl)methanol);bis(triphenylphosphanium) is sourced from PubChem (CID 157479759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).