acenaphthylene;dibromonickel

C12H8Br2Ni — CID 161160436

IUPACacenaphthylene;dibromonickel
SMILESBr[Ni]Br.C1=Cc2cccc3cccc1c23
InChIInChI=1S/C12H8.2BrH.Ni/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;;;/h1-8H;2*1H;/q;;;+2/p-2
InChIKeyUPVSVSWBAWRUKT-UHFFFAOYSA-L
MW370.70 g/mol
LogP5.01
Rot. Bonds

About acenaphthylene;dibromonickel

acenaphthylene;dibromonickel (PubChem CID 161160436) has the molecular formula C12H8Br2Ni and a molecular weight of 370.70 g/mol. Its IUPAC name is acenaphthylene;dibromonickel.

Molecular Properties

Compound Nameacenaphthylene;dibromonickel
PubChem CID161160436
Molecular FormulaC12H8Br2Ni
Molecular Weight370.70 g/mol
Exact Mass367.83
IUPAC Nameacenaphthylene;dibromonickel
SMILESBr[Ni]Br.C1=Cc2cccc3cccc1c23
InChIInChI=1S/C12H8.2BrH.Ni/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;;;/h1-8H;2*1H;/q;;;+2/p-2
InChIKeyUPVSVSWBAWRUKT-UHFFFAOYSA-L
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.70
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of acenaphthylene;dibromonickel?
The IUPAC name of acenaphthylene;dibromonickel (CID 161160436) is acenaphthylene;dibromonickel.
What is the SMILES notation for acenaphthylene;dibromonickel?
The canonical SMILES for acenaphthylene;dibromonickel is Br[Ni]Br.C1=Cc2cccc3cccc1c23.
What is the InChIKey of acenaphthylene;dibromonickel?
The InChIKey is UPVSVSWBAWRUKT-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8.2BrH.Ni/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;;;/h1-8H;2*1H;/q;;;+2/p-2.
What are the key properties of acenaphthylene;dibromonickel?
acenaphthylene;dibromonickel has a molecular weight of 370.70 g/mol, XLogP of 5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acenaphthylene;dibromonickel is sourced from PubChem (CID 161160436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).