magnesium;2H-phenanthren-2-ide;bromide

C14H9BrMg — CID 171991379

IUPACmagnesium;2H-phenanthren-2-ide;bromide
SMILES[Br-].[Mg+2].[c-]1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/C14H9.BrH.Mg/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;;/h1,3-10H;1H;/q-1;;+2/p-1
InChIKeyKTTJMFVKRUQQLM-UHFFFAOYSA-M
MW281.44 g/mol
LogP0.42
Rot. Bonds

About magnesium;2H-phenanthren-2-ide;bromide

magnesium;2H-phenanthren-2-ide;bromide (PubChem CID 171991379) has the molecular formula C14H9BrMg and a molecular weight of 281.44 g/mol. Its IUPAC name is magnesium;2H-phenanthren-2-ide;bromide.

Molecular Properties

Compound Namemagnesium;2H-phenanthren-2-ide;bromide
PubChem CID171991379
Molecular FormulaC14H9BrMg
Molecular Weight281.44 g/mol
Exact Mass279.97
IUPAC Namemagnesium;2H-phenanthren-2-ide;bromide
SMILES[Br-].[Mg+2].[c-]1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/C14H9.BrH.Mg/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;;/h1,3-10H;1H;/q-1;;+2/p-1
InChIKeyKTTJMFVKRUQQLM-UHFFFAOYSA-M
XLogP0.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze magnesium;2H-phenanthren-2-ide;bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 173242235
CID 173242235
phenanthrene;phosphane
CID 161431298
phenanthrene;sulfane
CID 159172584
potassium 2H-naphthalen-2-ide
CID 22967220
copper(1+);2H-naphthalen-2-ide
CID 150131052
2H-naphthalen-2-ide;zinc;hydrobromide
CID 175011397
magnesium;1-phenylnaphthalene;bromide
CID 58193913
phenanthrene;phosphinous acid
CID 174826862
chrysene;iron
CID 157379031
ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263
6H-naphthalen-6-ide-1-carbaldehyde;yttrium
CID 58541113

Frequently Asked Questions

What is the IUPAC name of magnesium;2H-phenanthren-2-ide;bromide?
The IUPAC name of magnesium;2H-phenanthren-2-ide;bromide (CID 171991379) is magnesium;2H-phenanthren-2-ide;bromide.
What is the SMILES notation for magnesium;2H-phenanthren-2-ide;bromide?
The canonical SMILES for magnesium;2H-phenanthren-2-ide;bromide is [Br-].[Mg+2].[c-]1ccc2c(c1)ccc1ccccc12.
What is the InChIKey of magnesium;2H-phenanthren-2-ide;bromide?
The InChIKey is KTTJMFVKRUQQLM-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H9.BrH.Mg/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;;/h1,3-10H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2H-phenanthren-2-ide;bromide?
magnesium;2H-phenanthren-2-ide;bromide has a molecular weight of 281.44 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2H-phenanthren-2-ide;bromide is sourced from PubChem (CID 171991379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).