tetrakis(nickel(2+));pentane;tetrakis(phenyl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide)

C69H60N16Ni4 — CID 139120466

IUPACtetrakis(nickel(2+));pentane;tetrakis(phenyl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide)
SMILESCCCCC.[Ni+2].[Ni+2].[Ni+2].[Ni+2].c1ccc([N-]c2cccc([N-]c3ccccn3)n2)cc1.c1ccc([N-]c2cccc([N-]c3ccccn3)n2)cc1.c1ccc([N-]c2cccc([N-]c3ccccn3)n2)cc1.c1ccc([N-]c2cccc([N-]c3ccccn3)n2)cc1
InChIInChI=1S/4C16H12N4.C5H12.4Ni/c4*1-2-7-13(8-3-1)18-15-10-6-11-16(20-15)19-14-9-4-5-12-17-14;1-3-5-4-2;;;;/h4*1-12H;3-5H2,1-2H3;;;;/q4*-2;;4*+2
InChIKeyDOUHNDHMLCUYJC-UHFFFAOYSA-N
MW1348.12 g/mol
LogP22.79
Rot. Bonds18

About tetrakis(nickel(2+));pentane;tetrakis(phenyl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide)

tetrakis(nickel(2+));pentane;tetrakis(phenyl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide) (PubChem CID 139120466) has the molecular formula C69H60N16Ni4 and a molecular weight of 1348.12 g/mol. Its IUPAC name is tetrakis(nickel(2+));pentane;tetrakis(phenyl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide).

Molecular Properties

Compound Nametetrakis(nickel(2+));pentane;tetrakis(phenyl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide)
PubChem CID139120466
Molecular FormulaC69H60N16Ni4
Molecular Weight1348.12 g/mol
Exact Mass1344.26
IUPAC Nametetrakis(nickel(2+));pentane;tetrakis(phenyl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide)
SMILESCCCCC.[Ni+2].[Ni+2].[Ni+2].[Ni+2].c1ccc([N-]c2cccc([N-]c3ccccn3)n2)cc1.c1ccc([N-]c2cccc([N-]c3ccccn3)n2)cc1.c1ccc([N-]c2cccc([N-]c3ccccn3)n2)cc1.c1ccc([N-]c2cccc([N-]c3ccccn3)n2)cc1
InChIInChI=1S/4C16H12N4.C5H12.4Ni/c4*1-2-7-13(8-3-1)18-15-10-6-11-16(20-15)19-14-9-4-5-12-17-14;1-3-5-4-2;;;;/h4*1-12H;3-5H2,1-2H3;;;;/q4*-2;;4*+2
InChIKeyDOUHNDHMLCUYJC-UHFFFAOYSA-N
XLogP22.79
TPSA215.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001348.12
LogP ≤ 522.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Tetrakis(cobalt(2+));cobalt(3+);tetrakis(pyridin-2-yl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide);tris(trifluoromethanesulfonate)
CID 139154587
MoW(dpa)4(OTf)
CID 168338072
Tetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+))
CID 139115232
2-(benzimidazol-1-id-2-yl)-N,N-dimethylpyridin-4-amine;2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;platinum;2-pyrimidin-2-ylbenzimidazol-1-ide;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide
CID 159692908
2-(benzimidazol-1-id-2-yl)-N,N-dimethylpyridin-4-amine;2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;pentakis(iridium);2-pyrimidin-2-ylbenzimidazol-1-ide;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide
CID 159890232
CID 161255345
CID 161255345
2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluoro-3-isocyanobenzene-6-id-1-yl)pyridine;heptakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)pyridine;1-methyl-3-phenyl-2H-imidazol-2-ide;1-phenyl-3-phenyl-2H-benzimidazol-2-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]quinoxalin-2-ide
CID 163501691
Tris(acetonitrile);tris(cobalt(2+));tetrakis(dipyridin-2-ylazanide);ethoxyethane;dihexafluorophosphate
CID 139051549
Cr3(dpa)4(NO3)2,Et2O
CID 139119133
Cr3(dpa)4(NCO)2
CID 139119135
Tetrakis(2,2'-dipyridylamidinato)dichromium(II)
CID 139120522
3-pyridin-2-yl-2-(3-pyridin-2-yl-1H-1,3,2-benzodiazaborol-2-yl)-1H-1,3,2-benzodiazaborole
CID 139124278

Frequently Asked Questions

What is the IUPAC name of tetrakis(nickel(2+));pentane;tetrakis(phenyl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide)?
The IUPAC name of tetrakis(nickel(2+));pentane;tetrakis(phenyl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide) (CID 139120466) is tetrakis(nickel(2+));pentane;tetrakis(phenyl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide).
What is the SMILES notation for tetrakis(nickel(2+));pentane;tetrakis(phenyl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide)?
The canonical SMILES for tetrakis(nickel(2+));pentane;tetrakis(phenyl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide) is CCCCC.[Ni+2].[Ni+2].[Ni+2].[Ni+2].c1ccc([N-]c2cccc([N-]c3ccccn3)n2)cc1.c1ccc([N-]c2cccc([N-]c3ccccn3)n2)cc1.c1ccc([N-]c2cccc([N-]c3ccccn3)n2)cc1.c1ccc([N-]c2cccc([N-]c3ccccn3)n2)cc1.
What is the InChIKey of tetrakis(nickel(2+));pentane;tetrakis(phenyl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide)?
The InChIKey is DOUHNDHMLCUYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C16H12N4.C5H12.4Ni/c4*1-2-7-13(8-3-1)18-15-10-6-11-16(20-15)19-14-9-4-5-12-17-14;1-3-5-4-2;;;;/h4*1-12H;3-5H2,1-2H3;;;;/q4*-2;;4*+2.
What are the key properties of tetrakis(nickel(2+));pentane;tetrakis(phenyl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide)?
tetrakis(nickel(2+));pentane;tetrakis(phenyl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide) has a molecular weight of 1348.12 g/mol, XLogP of 22.79, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(nickel(2+));pentane;tetrakis(phenyl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide) is sourced from PubChem (CID 139120466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).