Nickel, dichlorobis(triphenylphosphine)-

C36H30Cl2NiP2 — CID 498315

IUPACdichloronickel;bis(triphenylphosphane)
SMILESC1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ni]Cl
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/p-2
InChIKeyZBRJXVVKPBZPAN-UHFFFAOYSA-L
MW654.20 g/mol
LogP—
Rot. Bonds6

About Nickel, dichlorobis(triphenylphosphine)-

Nickel, dichlorobis(triphenylphosphine)- (PubChem CID 498315) has the molecular formula C36H30Cl2NiP2 and a molecular weight of 654.20 g/mol. Its IUPAC name is dichloronickel;bis(triphenylphosphane).

Molecular Properties

Compound NameNickel, dichlorobis(triphenylphosphine)-
PubChem CID498315
Molecular FormulaC36H30Cl2NiP2
Molecular Weight654.20 g/mol
Exact Mass652.06
IUPAC Namedichloronickel;bis(triphenylphosphane)
SMILESC1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ni]Cl
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/p-2
InChIKeyZBRJXVVKPBZPAN-UHFFFAOYSA-L
XLogP—
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms41
Complexity204

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500654.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Tetraphenylphosphonium
CID 164912
Tetrakis(triphenylphosphine)palladium
CID 11979704
Bis(triphenylphosphine)dicarbonylnickel
CID 16211556
Nickel;triphenylphosphane;dihydrochloride
CID 134991335
Stryker's reagent
CID 11982471
Hexaphenylditin
CID 6327129
Hexaphenyldilead
CID 6327846
Tetraphenylphosphonium Bromide
CID 2724163
1,2-Bis(diphenylphosphino)ethane
CID 74267
Bis(triphenylphosphine)nickel(II) chloride
CID 171039968
Bis(triphenylphosphine)nickel dichloride
CID 6332751
Dichlorobis(triphenylphosphine)palladium
CID 6102075

Frequently Asked Questions

What is the IUPAC name of Nickel, dichlorobis(triphenylphosphine)-?
The IUPAC name of Nickel, dichlorobis(triphenylphosphine)- (CID 498315) is dichloronickel;bis(triphenylphosphane).
What is the SMILES notation for Nickel, dichlorobis(triphenylphosphine)-?
The canonical SMILES for Nickel, dichlorobis(triphenylphosphine)- is C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ni]Cl.
What is the InChIKey of Nickel, dichlorobis(triphenylphosphine)-?
The InChIKey is ZBRJXVVKPBZPAN-UHFFFAOYSA-L. 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/p-2.
What are the key properties of Nickel, dichlorobis(triphenylphosphine)-?
Nickel, dichlorobis(triphenylphosphine)- has a molecular weight of 654.20 g/mol, XLogP of not available, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Nickel, dichlorobis(triphenylphosphine)- is sourced from PubChem (CID 498315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).