magnesium;phenoxy-(2-phenylphenyl)azanide;bromide

C18H14BrMgNO — CID 146163803

IUPACmagnesium;phenoxy-(2-phenylphenyl)azanide;bromide
SMILES[Br-].[Mg+2].c1ccc(O[N-]c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C18H14NO.BrH.Mg/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)19-20-16-11-5-2-6-12-16;;/h1-14H;1H;/q-1;;+2/p-1
InChIKeySKRZISGHBVMRDX-UHFFFAOYSA-M
MW364.53 g/mol
LogP1.98
Rot. Bonds4

About magnesium;phenoxy-(2-phenylphenyl)azanide;bromide

magnesium;phenoxy-(2-phenylphenyl)azanide;bromide (PubChem CID 146163803) has the molecular formula C18H14BrMgNO and a molecular weight of 364.53 g/mol. Its IUPAC name is magnesium;phenoxy-(2-phenylphenyl)azanide;bromide.

Molecular Properties

Compound Namemagnesium;phenoxy-(2-phenylphenyl)azanide;bromide
PubChem CID146163803
Molecular FormulaC18H14BrMgNO
Molecular Weight364.53 g/mol
Exact Mass363.01
IUPAC Namemagnesium;phenoxy-(2-phenylphenyl)azanide;bromide
SMILES[Br-].[Mg+2].c1ccc(O[N-]c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C18H14NO.BrH.Mg/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)19-20-16-11-5-2-6-12-16;;/h1-14H;1H;/q-1;;+2/p-1
InChIKeySKRZISGHBVMRDX-UHFFFAOYSA-M
XLogP1.98
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;phenoxy-(2-phenylphenyl)azanide;bromide?
The IUPAC name of magnesium;phenoxy-(2-phenylphenyl)azanide;bromide (CID 146163803) is magnesium;phenoxy-(2-phenylphenyl)azanide;bromide.
What is the SMILES notation for magnesium;phenoxy-(2-phenylphenyl)azanide;bromide?
The canonical SMILES for magnesium;phenoxy-(2-phenylphenyl)azanide;bromide is [Br-].[Mg+2].c1ccc(O[N-]c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of magnesium;phenoxy-(2-phenylphenyl)azanide;bromide?
The InChIKey is SKRZISGHBVMRDX-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H14NO.BrH.Mg/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)19-20-16-11-5-2-6-12-16;;/h1-14H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;phenoxy-(2-phenylphenyl)azanide;bromide?
magnesium;phenoxy-(2-phenylphenyl)azanide;bromide has a molecular weight of 364.53 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;phenoxy-(2-phenylphenyl)azanide;bromide is sourced from PubChem (CID 146163803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).