nickel;bis(triphenylphosphane);dihydrochloride

C36H32Cl2NiP2 — CID 134991335

IUPACnickel;bis(triphenylphosphane);dihydrochloride
SMILESCl.Cl.[Ni].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(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;
InChIKeyXCIZYHIKTNYOLL-UHFFFAOYSA-N
MW656.20 g/mol
LogP7.73
Rot. Bonds6

About nickel;bis(triphenylphosphane);dihydrochloride

nickel;bis(triphenylphosphane);dihydrochloride (PubChem CID 134991335) has the molecular formula C36H32Cl2NiP2 and a molecular weight of 656.20 g/mol. Its IUPAC name is nickel;bis(triphenylphosphane);dihydrochloride.

Molecular Properties

Compound Namenickel;bis(triphenylphosphane);dihydrochloride
PubChem CID134991335
Molecular FormulaC36H32Cl2NiP2
Molecular Weight656.20 g/mol
Exact Mass654.07
IUPAC Namenickel;bis(triphenylphosphane);dihydrochloride
SMILESCl.Cl.[Ni].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(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;
InChIKeyXCIZYHIKTNYOLL-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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Related Compounds

Tetraphenylphosphonium
CID 164912
Tetrakis(triphenylphosphine)palladium
CID 11979704
Nickel, dichlorobis(triphenylphosphine)-
CID 498315
Bis(triphenylphosphine)dicarbonylnickel
CID 16211556
Stryker's reagent
CID 11982471
Hexaphenylditin
CID 6327129
Hexaphenyldilead
CID 6327846
(p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride
CID 168940
Tetraphenylphosphonium Bromide
CID 2724163
1,2-Bis(diphenylphosphino)ethane
CID 74267
Bis(triphenylphosphine)nickel(II) chloride
CID 171039968
Bis(triphenylphosphine)nickel dichloride
CID 6332751

Frequently Asked Questions

What is the IUPAC name of nickel;bis(triphenylphosphane);dihydrochloride?
The IUPAC name of nickel;bis(triphenylphosphane);dihydrochloride (CID 134991335) is nickel;bis(triphenylphosphane);dihydrochloride.
What is the SMILES notation for nickel;bis(triphenylphosphane);dihydrochloride?
The canonical SMILES for nickel;bis(triphenylphosphane);dihydrochloride is Cl.Cl.[Ni].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of nickel;bis(triphenylphosphane);dihydrochloride?
The InChIKey is XCIZYHIKTNYOLL-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;.
What are the key properties of nickel;bis(triphenylphosphane);dihydrochloride?
nickel;bis(triphenylphosphane);dihydrochloride 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 nickel;bis(triphenylphosphane);dihydrochloride is sourced from PubChem (CID 134991335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).