dichloronickel;bis(triphenylphosphanium)

C36H32Cl2NiP2+2 — CID 6332751

IUPACdichloronickel;bis(triphenylphosphanium)
SMILESCl[Ni]Cl.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2ClH.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+2
InChIKeyZBRJXVVKPBZPAN-UHFFFAOYSA-N
MW656.20 g/mol
LogP7.73
Rot. Bonds6

About dichloronickel;bis(triphenylphosphanium)

dichloronickel;bis(triphenylphosphanium) (PubChem CID 6332751) has the molecular formula C36H32Cl2NiP2+2 and a molecular weight of 656.20 g/mol. Its IUPAC name is dichloronickel;bis(triphenylphosphanium).

Molecular Properties

Compound Namedichloronickel;bis(triphenylphosphanium)
PubChem CID6332751
Molecular FormulaC36H32Cl2NiP2+2
Molecular Weight656.20 g/mol
Exact Mass654.07
IUPAC Namedichloronickel;bis(triphenylphosphanium)
SMILESCl[Ni]Cl.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2ClH.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+2
InChIKeyZBRJXVVKPBZPAN-UHFFFAOYSA-N
XLogP7.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.20
LogP ≤ 57.73
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 dichloronickel;bis(triphenylphosphanium)?
The IUPAC name of dichloronickel;bis(triphenylphosphanium) (CID 6332751) is dichloronickel;bis(triphenylphosphanium).
What is the SMILES notation for dichloronickel;bis(triphenylphosphanium)?
The canonical SMILES for dichloronickel;bis(triphenylphosphanium) is Cl[Ni]Cl.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dichloronickel;bis(triphenylphosphanium)?
The InChIKey is ZBRJXVVKPBZPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15P.2ClH.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+2.
What are the key properties of dichloronickel;bis(triphenylphosphanium)?
dichloronickel;bis(triphenylphosphanium) has a molecular weight of 656.20 g/mol, XLogP of 7.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloronickel;bis(triphenylphosphanium) is sourced from PubChem (CID 6332751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).