bis(diphenylphosphane);nickel

C24H22NiP2 — CID 172733587

IUPACbis(diphenylphosphane);nickel
SMILES[Ni].c1ccc(Pc2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/2C12H11P.Ni/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h2*1-10,13H;
InChIKeyICXXMMQMSFYPJX-UHFFFAOYSA-N
MW431.08 g/mol
LogP4.63
Rot. Bonds4

About bis(diphenylphosphane);nickel

bis(diphenylphosphane);nickel (PubChem CID 172733587) has the molecular formula C24H22NiP2 and a molecular weight of 431.08 g/mol. Its IUPAC name is bis(diphenylphosphane);nickel.

Molecular Properties

Compound Namebis(diphenylphosphane);nickel
PubChem CID172733587
Molecular FormulaC24H22NiP2
Molecular Weight431.08 g/mol
Exact Mass430.06
IUPAC Namebis(diphenylphosphane);nickel
SMILES[Ni].c1ccc(Pc2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/2C12H11P.Ni/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h2*1-10,13H;
InChIKeyICXXMMQMSFYPJX-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.08
LogP ≤ 54.63
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 bis(diphenylphosphane);nickel?
The IUPAC name of bis(diphenylphosphane);nickel (CID 172733587) is bis(diphenylphosphane);nickel.
What is the SMILES notation for bis(diphenylphosphane);nickel?
The canonical SMILES for bis(diphenylphosphane);nickel is [Ni].c1ccc(Pc2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of bis(diphenylphosphane);nickel?
The InChIKey is ICXXMMQMSFYPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H11P.Ni/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h2*1-10,13H;.
What are the key properties of bis(diphenylphosphane);nickel?
bis(diphenylphosphane);nickel has a molecular weight of 431.08 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diphenylphosphane);nickel is sourced from PubChem (CID 172733587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).