dichloronickel;2-N,3-N-diphenyl-1,4-dioxane-2,3-diimine

C16H14Cl2N2NiO2 — CID 140654299

IUPACdichloronickel;2-N,3-N-diphenyl-1,4-dioxane-2,3-diimine
SMILESCl[Ni]Cl.c1ccc(/N=C2\OCCO\C2=N/c2ccccc2)cc1
InChIInChI=1S/C16H14N2O2.2ClH.Ni/c1-3-7-13(8-4-1)17-15-16(20-12-11-19-15)18-14-9-5-2-6-10-14;;;/h1-10H,11-12H2;2*1H;/q;;;+2/p-2/b17-15-,18-16-;;;
InChIKeyHHCLZBMCFOVNGX-SBOHBPTJSA-L
MW395.90 g/mol
LogP4.87
Rot. Bonds2

About dichloronickel;2-N,3-N-diphenyl-1,4-dioxane-2,3-diimine

dichloronickel;2-N,3-N-diphenyl-1,4-dioxane-2,3-diimine (PubChem CID 140654299) has the molecular formula C16H14Cl2N2NiO2 and a molecular weight of 395.90 g/mol. Its IUPAC name is dichloronickel;2-N,3-N-diphenyl-1,4-dioxane-2,3-diimine.

Molecular Properties

Compound Namedichloronickel;2-N,3-N-diphenyl-1,4-dioxane-2,3-diimine
PubChem CID140654299
Molecular FormulaC16H14Cl2N2NiO2
Molecular Weight395.90 g/mol
Exact Mass393.98
IUPAC Namedichloronickel;2-N,3-N-diphenyl-1,4-dioxane-2,3-diimine
SMILESCl[Ni]Cl.c1ccc(/N=C2\OCCO\C2=N/c2ccccc2)cc1
InChIInChI=1S/C16H14N2O2.2ClH.Ni/c1-3-7-13(8-4-1)17-15-16(20-12-11-19-15)18-14-9-5-2-6-10-14;;;/h1-10H,11-12H2;2*1H;/q;;;+2/p-2/b17-15-,18-16-;;;
InChIKeyHHCLZBMCFOVNGX-SBOHBPTJSA-L
XLogP4.87
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.90
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 101088873
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CID 158851058
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CID 70387410
CID 70387410
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,4-diphenylazetidin-2-imine
CID 126702623
2,3-dihydro-1,4-benzodioxine;piperazine
CID 68694467

Frequently Asked Questions

What is the IUPAC name of dichloronickel;2-N,3-N-diphenyl-1,4-dioxane-2,3-diimine?
The IUPAC name of dichloronickel;2-N,3-N-diphenyl-1,4-dioxane-2,3-diimine (CID 140654299) is dichloronickel;2-N,3-N-diphenyl-1,4-dioxane-2,3-diimine.
What is the SMILES notation for dichloronickel;2-N,3-N-diphenyl-1,4-dioxane-2,3-diimine?
The canonical SMILES for dichloronickel;2-N,3-N-diphenyl-1,4-dioxane-2,3-diimine is Cl[Ni]Cl.c1ccc(/N=C2\OCCO\C2=N/c2ccccc2)cc1.
What is the InChIKey of dichloronickel;2-N,3-N-diphenyl-1,4-dioxane-2,3-diimine?
The InChIKey is HHCLZBMCFOVNGX-SBOHBPTJSA-L. The full InChI is InChI=1S/C16H14N2O2.2ClH.Ni/c1-3-7-13(8-4-1)17-15-16(20-12-11-19-15)18-14-9-5-2-6-10-14;;;/h1-10H,11-12H2;2*1H;/q;;;+2/p-2/b17-15-,18-16-;;;.
What are the key properties of dichloronickel;2-N,3-N-diphenyl-1,4-dioxane-2,3-diimine?
dichloronickel;2-N,3-N-diphenyl-1,4-dioxane-2,3-diimine has a molecular weight of 395.90 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloronickel;2-N,3-N-diphenyl-1,4-dioxane-2,3-diimine is sourced from PubChem (CID 140654299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).