tetrakis(bis(2-pyrazol-1-ylphenyl)azanide);bis(dichloromethane);bis(nickel(2+))

C74H60Cl4N20Ni2 — CID 139142451

IUPACtetrakis(bis(2-pyrazol-1-ylphenyl)azanide);bis(dichloromethane);bis(nickel(2+))
SMILESClCCl.ClCCl.[Ni+2].[Ni+2].c1ccc(-n2cccn2)c([N-]c2ccccc2-n2cccn2)c1.c1ccc(-n2cccn2)c([N-]c2ccccc2-n2cccn2)c1.c1ccc(-n2cccn2)c([N-]c2ccccc2-n2cccn2)c1.c1ccc(-n2cccn2)c([N-]c2ccccc2-n2cccn2)c1
InChIInChI=1S/4C18H14N5.2CH2Cl2.2Ni/c4*1-3-9-17(22-13-5-11-19-22)15(7-1)21-16-8-2-4-10-18(16)23-14-6-12-20-23;2*2-1-3;;/h4*1-14H;2*1H2;;/q4*-1;;;2*+2
InChIKeyAAJRSMFYWYKJRH-UHFFFAOYSA-N
MW1488.63 g/mol
LogP20.42
Rot. Bonds16

About tetrakis(bis(2-pyrazol-1-ylphenyl)azanide);bis(dichloromethane);bis(nickel(2+))

tetrakis(bis(2-pyrazol-1-ylphenyl)azanide);bis(dichloromethane);bis(nickel(2+)) (PubChem CID 139142451) has the molecular formula C74H60Cl4N20Ni2 and a molecular weight of 1488.63 g/mol. Its IUPAC name is tetrakis(bis(2-pyrazol-1-ylphenyl)azanide);bis(dichloromethane);bis(nickel(2+)).

Molecular Properties

Compound Nametetrakis(bis(2-pyrazol-1-ylphenyl)azanide);bis(dichloromethane);bis(nickel(2+))
PubChem CID139142451
Molecular FormulaC74H60Cl4N20Ni2
Molecular Weight1488.63 g/mol
Exact Mass1484.28
IUPAC Nametetrakis(bis(2-pyrazol-1-ylphenyl)azanide);bis(dichloromethane);bis(nickel(2+))
SMILESClCCl.ClCCl.[Ni+2].[Ni+2].c1ccc(-n2cccn2)c([N-]c2ccccc2-n2cccn2)c1.c1ccc(-n2cccn2)c([N-]c2ccccc2-n2cccn2)c1.c1ccc(-n2cccn2)c([N-]c2ccccc2-n2cccn2)c1.c1ccc(-n2cccn2)c([N-]c2ccccc2-n2cccn2)c1
InChIInChI=1S/4C18H14N5.2CH2Cl2.2Ni/c4*1-3-9-17(22-13-5-11-19-22)15(7-1)21-16-8-2-4-10-18(16)23-14-6-12-20-23;2*2-1-3;;/h4*1-14H;2*1H2;;/q4*-1;;;2*+2
InChIKeyAAJRSMFYWYKJRH-UHFFFAOYSA-N
XLogP20.42
TPSA198.96 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001488.63
LogP ≤ 520.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

Benzene;tetrakis(cobalt(2+));tetrakis(phenyl-[6-[phenyl-di(pyrazol-1-yl)boranuidyl]-2-pyridinyl]-di(pyrazol-1-yl)boranuide)
CID 139144024
Bis(2,6-bis(pyrazol-1-ylmethyl)pyridine);bis(copper(1+));dichloromethane;bis(triphenylphosphanium);ditetrafluoroborate
CID 168338831
Tetrakis(bis(4-methyl-2-pyrazol-1-ylphenyl)azanide);hexakis(dichloromethane);tetrakis(rhodium(3+));octakis(triethylphosphane);tetrachloride;tetrahexafluorophosphate
CID 139137837

Frequently Asked Questions

What is the IUPAC name of tetrakis(bis(2-pyrazol-1-ylphenyl)azanide);bis(dichloromethane);bis(nickel(2+))?
The IUPAC name of tetrakis(bis(2-pyrazol-1-ylphenyl)azanide);bis(dichloromethane);bis(nickel(2+)) (CID 139142451) is tetrakis(bis(2-pyrazol-1-ylphenyl)azanide);bis(dichloromethane);bis(nickel(2+)).
What is the SMILES notation for tetrakis(bis(2-pyrazol-1-ylphenyl)azanide);bis(dichloromethane);bis(nickel(2+))?
The canonical SMILES for tetrakis(bis(2-pyrazol-1-ylphenyl)azanide);bis(dichloromethane);bis(nickel(2+)) is ClCCl.ClCCl.[Ni+2].[Ni+2].c1ccc(-n2cccn2)c([N-]c2ccccc2-n2cccn2)c1.c1ccc(-n2cccn2)c([N-]c2ccccc2-n2cccn2)c1.c1ccc(-n2cccn2)c([N-]c2ccccc2-n2cccn2)c1.c1ccc(-n2cccn2)c([N-]c2ccccc2-n2cccn2)c1.
What is the InChIKey of tetrakis(bis(2-pyrazol-1-ylphenyl)azanide);bis(dichloromethane);bis(nickel(2+))?
The InChIKey is AAJRSMFYWYKJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H14N5.2CH2Cl2.2Ni/c4*1-3-9-17(22-13-5-11-19-22)15(7-1)21-16-8-2-4-10-18(16)23-14-6-12-20-23;2*2-1-3;;/h4*1-14H;2*1H2;;/q4*-1;;;2*+2.
What are the key properties of tetrakis(bis(2-pyrazol-1-ylphenyl)azanide);bis(dichloromethane);bis(nickel(2+))?
tetrakis(bis(2-pyrazol-1-ylphenyl)azanide);bis(dichloromethane);bis(nickel(2+)) has a molecular weight of 1488.63 g/mol, XLogP of 20.42, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(bis(2-pyrazol-1-ylphenyl)azanide);bis(dichloromethane);bis(nickel(2+)) is sourced from PubChem (CID 139142451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).