1,4-bis(ethynyl)benzene;bis(chloropalladium(1+));tetrakis(triethylphosphanium)

C34H68Cl2P4Pd2+4 — CID 134950306

IUPAC1,4-bis(ethynyl)benzene;bis(chloropalladium(1+));tetrakis(triethylphosphanium)
SMILESCC[PH+](CC)CC.CC[PH+](CC)CC.CC[PH+](CC)CC.CC[PH+](CC)CC.Cl[Pd+].Cl[Pd+].[C-]#Cc1ccc(C#[C-])cc1
InChIInChI=1S/C10H4.4C6H15P.2ClH.2Pd/c1-3-9-5-7-10(4-2)8-6-9;4*1-4-7(5-2)6-3;;;;/h5-8H;4*4-6H2,1-3H3;2*1H;;/q-2;;;;;;;2*+2/p+2
InChIKeyONZSSUPTLAZXHO-UHFFFAOYSA-P
MW884.56 g/mol
LogP11.98
Rot. Bonds12

About 1,4-bis(ethynyl)benzene;bis(chloropalladium(1+));tetrakis(triethylphosphanium)

1,4-bis(ethynyl)benzene;bis(chloropalladium(1+));tetrakis(triethylphosphanium) (PubChem CID 134950306) has the molecular formula C34H68Cl2P4Pd2+4 and a molecular weight of 884.56 g/mol. Its IUPAC name is 1,4-bis(ethynyl)benzene;bis(chloropalladium(1+));tetrakis(triethylphosphanium).

Molecular Properties

Compound Name1,4-bis(ethynyl)benzene;bis(chloropalladium(1+));tetrakis(triethylphosphanium)
PubChem CID134950306
Molecular FormulaC34H68Cl2P4Pd2+4
Molecular Weight884.56 g/mol
Exact Mass882.17
IUPAC Name1,4-bis(ethynyl)benzene;bis(chloropalladium(1+));tetrakis(triethylphosphanium)
SMILESCC[PH+](CC)CC.CC[PH+](CC)CC.CC[PH+](CC)CC.CC[PH+](CC)CC.Cl[Pd+].Cl[Pd+].[C-]#Cc1ccc(C#[C-])cc1
InChIInChI=1S/C10H4.4C6H15P.2ClH.2Pd/c1-3-9-5-7-10(4-2)8-6-9;4*1-4-7(5-2)6-3;;;;/h5-8H;4*4-6H2,1-3H3;2*1H;;/q-2;;;;;;;2*+2/p+2
InChIKeyONZSSUPTLAZXHO-UHFFFAOYSA-P
XLogP11.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.56
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(ethynyl)benzene;bis(chloropalladium(1+));tetrakis(triethylphosphanium)?
The IUPAC name of 1,4-bis(ethynyl)benzene;bis(chloropalladium(1+));tetrakis(triethylphosphanium) (CID 134950306) is 1,4-bis(ethynyl)benzene;bis(chloropalladium(1+));tetrakis(triethylphosphanium).
What is the SMILES notation for 1,4-bis(ethynyl)benzene;bis(chloropalladium(1+));tetrakis(triethylphosphanium)?
The canonical SMILES for 1,4-bis(ethynyl)benzene;bis(chloropalladium(1+));tetrakis(triethylphosphanium) is CC[PH+](CC)CC.CC[PH+](CC)CC.CC[PH+](CC)CC.CC[PH+](CC)CC.Cl[Pd+].Cl[Pd+].[C-]#Cc1ccc(C#[C-])cc1.
What is the InChIKey of 1,4-bis(ethynyl)benzene;bis(chloropalladium(1+));tetrakis(triethylphosphanium)?
The InChIKey is ONZSSUPTLAZXHO-UHFFFAOYSA-P. The full InChI is InChI=1S/C10H4.4C6H15P.2ClH.2Pd/c1-3-9-5-7-10(4-2)8-6-9;4*1-4-7(5-2)6-3;;;;/h5-8H;4*4-6H2,1-3H3;2*1H;;/q-2;;;;;;;2*+2/p+2.
What are the key properties of 1,4-bis(ethynyl)benzene;bis(chloropalladium(1+));tetrakis(triethylphosphanium)?
1,4-bis(ethynyl)benzene;bis(chloropalladium(1+));tetrakis(triethylphosphanium) has a molecular weight of 884.56 g/mol, XLogP of 11.98, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(ethynyl)benzene;bis(chloropalladium(1+));tetrakis(triethylphosphanium) is sourced from PubChem (CID 134950306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).