dibutylphosphane;nickel(2+);bis(triphenylphosphane);dibromide

C44H49Br2NiP3 — CID 175390731

IUPACdibutylphosphane;nickel(2+);bis(triphenylphosphane);dibromide
SMILESCCCCPCCCC.[Br-].[Br-].[Ni+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C8H19P.2BrH.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-5-7-9-8-6-4-2;;;/h2*1-15H;9H,3-8H2,1-2H3;2*1H;/q;;;;;+2/p-2
InChIKeyMTUULEARRBUOAA-UHFFFAOYSA-L
MW889.30 g/mol
LogP4.16
Rot. Bonds12

About dibutylphosphane;nickel(2+);bis(triphenylphosphane);dibromide

dibutylphosphane;nickel(2+);bis(triphenylphosphane);dibromide (PubChem CID 175390731) has the molecular formula C44H49Br2NiP3 and a molecular weight of 889.30 g/mol. Its IUPAC name is dibutylphosphane;nickel(2+);bis(triphenylphosphane);dibromide.

Molecular Properties

Compound Namedibutylphosphane;nickel(2+);bis(triphenylphosphane);dibromide
PubChem CID175390731
Molecular FormulaC44H49Br2NiP3
Molecular Weight889.30 g/mol
Exact Mass886.08
IUPAC Namedibutylphosphane;nickel(2+);bis(triphenylphosphane);dibromide
SMILESCCCCPCCCC.[Br-].[Br-].[Ni+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C8H19P.2BrH.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-5-7-9-8-6-4-2;;;/h2*1-15H;9H,3-8H2,1-2H3;2*1H;/q;;;;;+2/p-2
InChIKeyMTUULEARRBUOAA-UHFFFAOYSA-L
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500889.30
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butane;triphenylphosphane
CID 161447439
butyl(2-phenylethyl)phosphane
CID 69425229
ethane;triphenylphosphane
CID 90942156
copper(1+);triphenylphosphane;bromide
CID 87491658
nickel(2+);tris(triphenylphosphane);diiodide
CID 173453506
triphenylphosphane
CID 139056248
octanoic acid;triphenylphosphane;hydrobromide
CID 173304615
decyl(2-phenylethyl)phosphane
CID 69425804
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409

Frequently Asked Questions

What is the IUPAC name of dibutylphosphane;nickel(2+);bis(triphenylphosphane);dibromide?
The IUPAC name of dibutylphosphane;nickel(2+);bis(triphenylphosphane);dibromide (CID 175390731) is dibutylphosphane;nickel(2+);bis(triphenylphosphane);dibromide.
What is the SMILES notation for dibutylphosphane;nickel(2+);bis(triphenylphosphane);dibromide?
The canonical SMILES for dibutylphosphane;nickel(2+);bis(triphenylphosphane);dibromide is CCCCPCCCC.[Br-].[Br-].[Ni+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dibutylphosphane;nickel(2+);bis(triphenylphosphane);dibromide?
The InChIKey is MTUULEARRBUOAA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H15P.C8H19P.2BrH.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-5-7-9-8-6-4-2;;;/h2*1-15H;9H,3-8H2,1-2H3;2*1H;/q;;;;;+2/p-2.
What are the key properties of dibutylphosphane;nickel(2+);bis(triphenylphosphane);dibromide?
dibutylphosphane;nickel(2+);bis(triphenylphosphane);dibromide has a molecular weight of 889.30 g/mol, XLogP of 4.16, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutylphosphane;nickel(2+);bis(triphenylphosphane);dibromide is sourced from PubChem (CID 175390731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).