dimagnesium;1-[4-(1-azanidylidenebut-3-enyl)phenyl]but-3-enylideneazanide;dichloride

C14H14Cl2Mg2N2 — CID 10426734

IUPACdimagnesium;1-[4-(1-azanidylidenebut-3-enyl)phenyl]but-3-enylideneazanide;dichloride
SMILESC=CCC(=[N-])c1ccc(C(=[N-])CC=C)cc1.[Cl-].[Cl-].[Mg+2].[Mg+2]
InChIInChI=1S/C14H14N2.2ClH.2Mg/c1-3-5-13(15)11-7-9-12(10-8-11)14(16)6-4-2;;;;/h3-4,7-10H,1-2,5-6H2;2*1H;;/q-2;;;2*+2/p-2
InChIKeyQEYXYULPSZADRX-UHFFFAOYSA-L
MW329.80 g/mol
LogP-3.20
Rot. Bonds6

About dimagnesium;1-[4-(1-azanidylidenebut-3-enyl)phenyl]but-3-enylideneazanide;dichloride

dimagnesium;1-[4-(1-azanidylidenebut-3-enyl)phenyl]but-3-enylideneazanide;dichloride (PubChem CID 10426734) has the molecular formula C14H14Cl2Mg2N2 and a molecular weight of 329.80 g/mol. Its IUPAC name is dimagnesium;1-[4-(1-azanidylidenebut-3-enyl)phenyl]but-3-enylideneazanide;dichloride.

Molecular Properties

Compound Namedimagnesium;1-[4-(1-azanidylidenebut-3-enyl)phenyl]but-3-enylideneazanide;dichloride
PubChem CID10426734
Molecular FormulaC14H14Cl2Mg2N2
Molecular Weight329.80 g/mol
Exact Mass328.02
IUPAC Namedimagnesium;1-[4-(1-azanidylidenebut-3-enyl)phenyl]but-3-enylideneazanide;dichloride
SMILESC=CCC(=[N-])c1ccc(C(=[N-])CC=C)cc1.[Cl-].[Cl-].[Mg+2].[Mg+2]
InChIInChI=1S/C14H14N2.2ClH.2Mg/c1-3-5-13(15)11-7-9-12(10-8-11)14(16)6-4-2;;;;/h3-4,7-10H,1-2,5-6H2;2*1H;;/q-2;;;2*+2/p-2
InChIKeyQEYXYULPSZADRX-UHFFFAOYSA-L
XLogP-3.20
TPSA44.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.80
LogP ≤ 5-3.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimagnesium;1-[4-(1-azanidylidenebut-3-enyl)phenyl]but-3-enylideneazanide;dichloride?
The IUPAC name of dimagnesium;1-[4-(1-azanidylidenebut-3-enyl)phenyl]but-3-enylideneazanide;dichloride (CID 10426734) is dimagnesium;1-[4-(1-azanidylidenebut-3-enyl)phenyl]but-3-enylideneazanide;dichloride.
What is the SMILES notation for dimagnesium;1-[4-(1-azanidylidenebut-3-enyl)phenyl]but-3-enylideneazanide;dichloride?
The canonical SMILES for dimagnesium;1-[4-(1-azanidylidenebut-3-enyl)phenyl]but-3-enylideneazanide;dichloride is C=CCC(=[N-])c1ccc(C(=[N-])CC=C)cc1.[Cl-].[Cl-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;1-[4-(1-azanidylidenebut-3-enyl)phenyl]but-3-enylideneazanide;dichloride?
The InChIKey is QEYXYULPSZADRX-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H14N2.2ClH.2Mg/c1-3-5-13(15)11-7-9-12(10-8-11)14(16)6-4-2;;;;/h3-4,7-10H,1-2,5-6H2;2*1H;;/q-2;;;2*+2/p-2.
What are the key properties of dimagnesium;1-[4-(1-azanidylidenebut-3-enyl)phenyl]but-3-enylideneazanide;dichloride?
dimagnesium;1-[4-(1-azanidylidenebut-3-enyl)phenyl]but-3-enylideneazanide;dichloride has a molecular weight of 329.80 g/mol, XLogP of -3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;1-[4-(1-azanidylidenebut-3-enyl)phenyl]but-3-enylideneazanide;dichloride is sourced from PubChem (CID 10426734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).