azanide;tetrakis(ethane-1,2-diamine);nickel;octacyanide

C16H34N17Ni5-9 — CID 6395640

IUPACazanide;tetrakis(ethane-1,2-diamine);nickel;octacyanide
SMILESNCCN.NCCN.NCCN.NCCN.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[NH2-].[Ni].[Ni].[Ni].[Ni].[Ni]
InChIInChI=1S/4C2H8N2.8CN.H2N.5Ni/c4*3-1-2-4;8*1-2;;;;;;/h4*1-4H2;;;;;;;;;1H2;;;;;/q;;;;9*-1;;;;;
InChIKeyFBAVOUARMUYJRH-UHFFFAOYSA-N
MW758.03 g/mol
LogP-2.91
Rot. Bonds4

About azanide;tetrakis(ethane-1,2-diamine);nickel;octacyanide

azanide;tetrakis(ethane-1,2-diamine);nickel;octacyanide (PubChem CID 6395640) has the molecular formula C16H34N17Ni5-9 and a molecular weight of 758.03 g/mol. Its IUPAC name is azanide;tetrakis(ethane-1,2-diamine);nickel;octacyanide.

Molecular Properties

Compound Nameazanide;tetrakis(ethane-1,2-diamine);nickel;octacyanide
PubChem CID6395640
Molecular FormulaC16H34N17Ni5-9
Molecular Weight758.03 g/mol
Exact Mass754.00
IUPAC Nameazanide;tetrakis(ethane-1,2-diamine);nickel;octacyanide
SMILESNCCN.NCCN.NCCN.NCCN.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[NH2-].[Ni].[Ni].[Ni].[Ni].[Ni]
InChIInChI=1S/4C2H8N2.8CN.H2N.5Ni/c4*3-1-2-4;8*1-2;;;;;;/h4*1-4H2;;;;;;;;;1H2;;;;;/q;;;;9*-1;;;;;
InChIKeyFBAVOUARMUYJRH-UHFFFAOYSA-N
XLogP-2.91
TPSA431.98 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500758.03
LogP ≤ 5-2.91
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

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 azanide;tetrakis(ethane-1,2-diamine);nickel;octacyanide?
The IUPAC name of azanide;tetrakis(ethane-1,2-diamine);nickel;octacyanide (CID 6395640) is azanide;tetrakis(ethane-1,2-diamine);nickel;octacyanide.
What is the SMILES notation for azanide;tetrakis(ethane-1,2-diamine);nickel;octacyanide?
The canonical SMILES for azanide;tetrakis(ethane-1,2-diamine);nickel;octacyanide is NCCN.NCCN.NCCN.NCCN.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[NH2-].[Ni].[Ni].[Ni].[Ni].[Ni].
What is the InChIKey of azanide;tetrakis(ethane-1,2-diamine);nickel;octacyanide?
The InChIKey is FBAVOUARMUYJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C2H8N2.8CN.H2N.5Ni/c4*3-1-2-4;8*1-2;;;;;;/h4*1-4H2;;;;;;;;;1H2;;;;;/q;;;;9*-1;;;;;.
What are the key properties of azanide;tetrakis(ethane-1,2-diamine);nickel;octacyanide?
azanide;tetrakis(ethane-1,2-diamine);nickel;octacyanide has a molecular weight of 758.03 g/mol, XLogP of -2.91, 4 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;tetrakis(ethane-1,2-diamine);nickel;octacyanide is sourced from PubChem (CID 6395640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).