nickel(2+);tris(triphenylphosphane);diiodide

C54H45I2NiP3 — CID 173453506

IUPACnickel(2+);tris(triphenylphosphane);diiodide
SMILES[I-].[I-].[Ni+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.2HI.Ni/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h3*1-15H;2*1H;/q;;;;;+2/p-2
InChIKeyKYTIADLAFTYOET-UHFFFAOYSA-L
MW1099.38 g/mol
LogP4.34
Rot. Bonds9

About nickel(2+);tris(triphenylphosphane);diiodide

nickel(2+);tris(triphenylphosphane);diiodide (PubChem CID 173453506) has the molecular formula C54H45I2NiP3 and a molecular weight of 1099.38 g/mol. Its IUPAC name is nickel(2+);tris(triphenylphosphane);diiodide.

Molecular Properties

Compound Namenickel(2+);tris(triphenylphosphane);diiodide
PubChem CID173453506
Molecular FormulaC54H45I2NiP3
Molecular Weight1099.38 g/mol
Exact Mass1098.02
IUPAC Namenickel(2+);tris(triphenylphosphane);diiodide
SMILES[I-].[I-].[Ni+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.2HI.Ni/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h3*1-15H;2*1H;/q;;;;;+2/p-2
InChIKeyKYTIADLAFTYOET-UHFFFAOYSA-L
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001099.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

silver;tris(triphenylphosphane);iodide
CID 170458282
copper;triphenylphosphane;diiodide
CID 175718696
triphenylphosphane
CID 139056248
tris(triphenylphosphane);trihydrochloride
CID 173282987
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);hydrobromide
CID 172722268
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
pentakis(palladium);hexadecakis(triphenylphosphane)
CID 173116735

Frequently Asked Questions

What is the IUPAC name of nickel(2+);tris(triphenylphosphane);diiodide?
The IUPAC name of nickel(2+);tris(triphenylphosphane);diiodide (CID 173453506) is nickel(2+);tris(triphenylphosphane);diiodide.
What is the SMILES notation for nickel(2+);tris(triphenylphosphane);diiodide?
The canonical SMILES for nickel(2+);tris(triphenylphosphane);diiodide is [I-].[I-].[Ni+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of nickel(2+);tris(triphenylphosphane);diiodide?
The InChIKey is KYTIADLAFTYOET-UHFFFAOYSA-L. The full InChI is InChI=1S/3C18H15P.2HI.Ni/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h3*1-15H;2*1H;/q;;;;;+2/p-2.
What are the key properties of nickel(2+);tris(triphenylphosphane);diiodide?
nickel(2+);tris(triphenylphosphane);diiodide has a molecular weight of 1099.38 g/mol, XLogP of 4.34, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);tris(triphenylphosphane);diiodide is sourced from PubChem (CID 173453506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).