nickel;tetrakis(phenyl(pyridin-2-yl)diazene)

C44H36N12Ni2 — CID 139142407

IUPACnickel;tetrakis(phenyl(pyridin-2-yl)diazene)
SMILES[Ni].[Ni].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1
InChIInChI=1S/4C11H9N3.2Ni/c4*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;;/h4*1-9H;;/b4*14-13+;;
InChIKeySEJWQQIJJWESRE-LZMAPOQJSA-N
MW850.24 g/mol
LogP13.98
Rot. Bonds8

About nickel;tetrakis(phenyl(pyridin-2-yl)diazene)

nickel;tetrakis(phenyl(pyridin-2-yl)diazene) (PubChem CID 139142407) has the molecular formula C44H36N12Ni2 and a molecular weight of 850.24 g/mol. Its IUPAC name is nickel;tetrakis(phenyl(pyridin-2-yl)diazene).

Molecular Properties

Compound Namenickel;tetrakis(phenyl(pyridin-2-yl)diazene)
PubChem CID139142407
Molecular FormulaC44H36N12Ni2
Molecular Weight850.24 g/mol
Exact Mass848.19
IUPAC Namenickel;tetrakis(phenyl(pyridin-2-yl)diazene)
SMILES[Ni].[Ni].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1
InChIInChI=1S/4C11H9N3.2Ni/c4*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;;/h4*1-9H;;/b4*14-13+;;
InChIKeySEJWQQIJJWESRE-LZMAPOQJSA-N
XLogP13.98
TPSA150.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500850.24
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nickel;tetrakis(phenyl(pyridin-2-yl)diazene)?
The IUPAC name of nickel;tetrakis(phenyl(pyridin-2-yl)diazene) (CID 139142407) is nickel;tetrakis(phenyl(pyridin-2-yl)diazene).
What is the SMILES notation for nickel;tetrakis(phenyl(pyridin-2-yl)diazene)?
The canonical SMILES for nickel;tetrakis(phenyl(pyridin-2-yl)diazene) is [Ni].[Ni].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1.
What is the InChIKey of nickel;tetrakis(phenyl(pyridin-2-yl)diazene)?
The InChIKey is SEJWQQIJJWESRE-LZMAPOQJSA-N. The full InChI is InChI=1S/4C11H9N3.2Ni/c4*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;;/h4*1-9H;;/b4*14-13+;;.
What are the key properties of nickel;tetrakis(phenyl(pyridin-2-yl)diazene)?
nickel;tetrakis(phenyl(pyridin-2-yl)diazene) has a molecular weight of 850.24 g/mol, XLogP of 13.98, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;tetrakis(phenyl(pyridin-2-yl)diazene) is sourced from PubChem (CID 139142407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).