magnesium;1-phenylnaphthalene;bromide

C16H11BrMg — CID 58193913

IUPACmagnesium;1-phenylnaphthalene;bromide
SMILES[Br-].[Mg+2].[c-]1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C16H11.BrH.Mg/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16;;/h2-12H;1H;/q-1;;+2/p-1
InChIKeyAURKXJIUZZHUJJ-UHFFFAOYSA-M
MW307.47 g/mol
LogP0.93
Rot. Bonds1

About magnesium;1-phenylnaphthalene;bromide

magnesium;1-phenylnaphthalene;bromide (PubChem CID 58193913) has the molecular formula C16H11BrMg and a molecular weight of 307.47 g/mol. Its IUPAC name is magnesium;1-phenylnaphthalene;bromide.

Molecular Properties

Compound Namemagnesium;1-phenylnaphthalene;bromide
PubChem CID58193913
Molecular FormulaC16H11BrMg
Molecular Weight307.47 g/mol
Exact Mass305.99
IUPAC Namemagnesium;1-phenylnaphthalene;bromide
SMILES[Br-].[Mg+2].[c-]1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C16H11.BrH.Mg/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16;;/h2-12H;1H;/q-1;;+2/p-1
InChIKeyAURKXJIUZZHUJJ-UHFFFAOYSA-M
XLogP0.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;1-phenylnaphthalene;bromide?
The IUPAC name of magnesium;1-phenylnaphthalene;bromide (CID 58193913) is magnesium;1-phenylnaphthalene;bromide.
What is the SMILES notation for magnesium;1-phenylnaphthalene;bromide?
The canonical SMILES for magnesium;1-phenylnaphthalene;bromide is [Br-].[Mg+2].[c-]1ccc(-c2cccc3ccccc23)cc1.
What is the InChIKey of magnesium;1-phenylnaphthalene;bromide?
The InChIKey is AURKXJIUZZHUJJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H11.BrH.Mg/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16;;/h2-12H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-phenylnaphthalene;bromide?
magnesium;1-phenylnaphthalene;bromide has a molecular weight of 307.47 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-phenylnaphthalene;bromide is sourced from PubChem (CID 58193913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).