osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide

C68H52I6N16Os2-6 — CID 139127813

IUPACosmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide
SMILESI[I-]I.I[I-]I.[Os].[Os].c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.c1ccc([N-]c2ccccc2/N=N\c2ccccn2)cc1.c1ccc([N-]c2ccccc2/N=N\c2ccccn2)cc1
InChIInChI=1S/4C17H13N4.2I3.2Os/c4*1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)20-21-17-12-6-7-13-18-17;2*1-3-2;;/h4*1-13H;;;;/q6*-1;;/b2*21-20+;2*21-20-;;;;
InChIKeyHKGBTPLFGIEWTF-QJJNSJSWSA-N
MW2235.16 g/mol
LogP20.88
Rot. Bonds16

About osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide

osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide (PubChem CID 139127813) has the molecular formula C68H52I6N16Os2-6 and a molecular weight of 2235.16 g/mol. Its IUPAC name is osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide.

Molecular Properties

Compound Nameosmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide
PubChem CID139127813
Molecular FormulaC68H52I6N16Os2-6
Molecular Weight2235.16 g/mol
Exact Mass2237.81
IUPAC Nameosmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide
SMILESI[I-]I.I[I-]I.[Os].[Os].c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.c1ccc([N-]c2ccccc2/N=N\c2ccccn2)cc1.c1ccc([N-]c2ccccc2/N=N\c2ccccn2)cc1
InChIInChI=1S/4C17H13N4.2I3.2Os/c4*1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)20-21-17-12-6-7-13-18-17;2*1-3-2;;/h4*1-13H;;;;/q6*-1;;/b2*21-20+;2*21-20-;;;;
InChIKeyHKGBTPLFGIEWTF-QJJNSJSWSA-N
XLogP20.88
TPSA206.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002235.16
LogP ≤ 520.88
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

Tetrakis(nickel(2+));pentane;tetrakis(phenyl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide)
CID 139120466
3-pyridin-2-yl-2-(3-pyridin-2-yl-1H-1,3,2-benzodiazaborol-2-yl)-1H-1,3,2-benzodiazaborole
CID 139124278
Osmium(2+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide)
CID 139127812
[(E)-(6-phenyliminocyclohexa-2,4-dien-1-ylidene)amino]-pyridin-2-ylazanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide;ruthenium(2+)
CID 139127814
tetrakis(anilinopyridyl-N,N')divanadium(II,II), benzene solvate
CID 139131491
Chromium(3+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);perchlorate
CID 139133163
molybdenum;oxygen(2-);phenyl-[(Z)-pyridin-1-id-2-ylideneamino]azanide;bis(phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide);phenyl(pyridin-2-yl)diazene
CID 139141599
Nickel;tetrakis(phenyl(pyridin-2-yl)diazene)
CID 139142407
Manganese(2+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide)
CID 139153641
Bis(cobalt(3+));bis((4-decylphenyl)-[2-(pyridin-2-yldiazenyl)phenyl]azanide);hexane;bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);diperchlorate
CID 139161213
Ru2(ap)4ONO2
CID 139169889
Benzene;bis(1,2-dinitrosobenzene);tetrakis(phenyl(pyridin-2-yl)diazene);ruthenium;ruthenium(1+);perchlorate
CID 168344738

Frequently Asked Questions

What is the IUPAC name of osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide?
The IUPAC name of osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide (CID 139127813) is osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide.
What is the SMILES notation for osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide?
The canonical SMILES for osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide is I[I-]I.I[I-]I.[Os].[Os].c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.c1ccc([N-]c2ccccc2/N=N\c2ccccn2)cc1.c1ccc([N-]c2ccccc2/N=N\c2ccccn2)cc1.
What is the InChIKey of osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide?
The InChIKey is HKGBTPLFGIEWTF-QJJNSJSWSA-N. The full InChI is InChI=1S/4C17H13N4.2I3.2Os/c4*1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)20-21-17-12-6-7-13-18-17;2*1-3-2;;/h4*1-13H;;;;/q6*-1;;/b2*21-20+;2*21-20-;;;;.
What are the key properties of osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide?
osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide has a molecular weight of 2235.16 g/mol, XLogP of 20.88, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for osmium;tetrakis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide);ditriiodide is sourced from PubChem (CID 139127813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).