dichloronickel(2+);bis(diphenylphosphanide)

C24H20Cl2NiP2 — CID 139239536

IUPACdichloronickel(2+);bis(diphenylphosphanide)
SMILESCl[Ni+2]Cl.c1ccc([P-]c2ccccc2)cc1.c1ccc([P-]c2ccccc2)cc1
InChIInChI=1S/2C12H10P.2ClH.Ni/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;/h2*1-10H;2*1H;/q2*-1;;;+4/p-2
InChIKeyWETILHVHYFKOLH-UHFFFAOYSA-L
MW499.97 g/mol
LogP6.54
Rot. Bonds4

About dichloronickel(2+);bis(diphenylphosphanide)

dichloronickel(2+);bis(diphenylphosphanide) (PubChem CID 139239536) has the molecular formula C24H20Cl2NiP2 and a molecular weight of 499.97 g/mol. Its IUPAC name is dichloronickel(2+);bis(diphenylphosphanide).

Molecular Properties

Compound Namedichloronickel(2+);bis(diphenylphosphanide)
PubChem CID139239536
Molecular FormulaC24H20Cl2NiP2
Molecular Weight499.97 g/mol
Exact Mass497.98
IUPAC Namedichloronickel(2+);bis(diphenylphosphanide)
SMILESCl[Ni+2]Cl.c1ccc([P-]c2ccccc2)cc1.c1ccc([P-]c2ccccc2)cc1
InChIInChI=1S/2C12H10P.2ClH.Ni/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;/h2*1-10H;2*1H;/q2*-1;;;+4/p-2
InChIKeyWETILHVHYFKOLH-UHFFFAOYSA-L
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.97
LogP ≤ 56.54
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(2+);bis(diphenylphosphanide)?
The IUPAC name of dichloronickel(2+);bis(diphenylphosphanide) (CID 139239536) is dichloronickel(2+);bis(diphenylphosphanide).
What is the SMILES notation for dichloronickel(2+);bis(diphenylphosphanide)?
The canonical SMILES for dichloronickel(2+);bis(diphenylphosphanide) is Cl[Ni+2]Cl.c1ccc([P-]c2ccccc2)cc1.c1ccc([P-]c2ccccc2)cc1.
What is the InChIKey of dichloronickel(2+);bis(diphenylphosphanide)?
The InChIKey is WETILHVHYFKOLH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H10P.2ClH.Ni/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;/h2*1-10H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of dichloronickel(2+);bis(diphenylphosphanide)?
dichloronickel(2+);bis(diphenylphosphanide) has a molecular weight of 499.97 g/mol, XLogP of 6.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloronickel(2+);bis(diphenylphosphanide) is sourced from PubChem (CID 139239536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).