bis(2-methylphenolate);nickel(2+);hexakis(pyridine)

C44H44N6NiO2 — CID 139170301

IUPACbis(2-methylphenolate);nickel(2+);hexakis(pyridine)
SMILESCc1ccccc1[O-].Cc1ccccc1[O-].[Ni+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C7H8O.6C5H5N.Ni/c2*1-6-4-2-3-5-7(6)8;6*1-2-4-6-5-3-1;/h2*2-5,8H,1H3;6*1-5H;/q;;;;;;;;+2/p-2
InChIKeyGCZSMEPGQGONPF-UHFFFAOYSA-L
MW747.57 g/mol
LogP8.62
Rot. Bonds

About bis(2-methylphenolate);nickel(2+);hexakis(pyridine)

bis(2-methylphenolate);nickel(2+);hexakis(pyridine) (PubChem CID 139170301) has the molecular formula C44H44N6NiO2 and a molecular weight of 747.57 g/mol. Its IUPAC name is bis(2-methylphenolate);nickel(2+);hexakis(pyridine).

Molecular Properties

Compound Namebis(2-methylphenolate);nickel(2+);hexakis(pyridine)
PubChem CID139170301
Molecular FormulaC44H44N6NiO2
Molecular Weight747.57 g/mol
Exact Mass746.29
IUPAC Namebis(2-methylphenolate);nickel(2+);hexakis(pyridine)
SMILESCc1ccccc1[O-].Cc1ccccc1[O-].[Ni+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C7H8O.6C5H5N.Ni/c2*1-6-4-2-3-5-7(6)8;6*1-2-4-6-5-3-1;/h2*2-5,8H,1H3;6*1-5H;/q;;;;;;;;+2/p-2
InChIKeyGCZSMEPGQGONPF-UHFFFAOYSA-L
XLogP8.62
TPSA123.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.57
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze bis(2-methylphenolate);nickel(2+);hexakis(pyridine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nickel, (benzenecarbothioic acid ((2-hydroxyphenyl)methylene)hydrazidato(2-))(pyridine)-, (SP-4-2)-
CID 9589028
Beryllium;2-pyridin-2-ylphenolate
CID 100943966
2,6-Bis(bis(2-pyridylmethyl)aminomethyl)-4-methylphenol
CID 11756790
[(E)-C-(2-hydroxyphenyl)-N-[(E)-2-pyridylmethyleneamino]carbonimidoyl]oxy-[(Z)-C-(2-hydroxyphenyl)-N-[(E)-2-pyridylmethyleneamino]carbonimidoyl]oxy-nickel
CID 135484770
2-((Bis(pyridin-2-ylmethyl)amino)methyl)-6-(((2-hydroxybenzyl)(pyridin-2-ylmethyl)amino)methyl)-4-methylphenol
CID 11445866
2-[[Benzyl(pyridin-2-ylmethyl)amino]methyl]-6-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methylphenol
CID 12105606
1,2,2,4,5,6-Hexakis[(4-methyl-2-pyridinyl)oxy]-1,3,5-triaza-2lambda5,4,6-triphosphacyclohex-2-ene
CID 91201021
4-[3,5-Bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenol
CID 91576029
4,4,6,6-Tetrapyridin-2-yloxyspiro[1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,6'-benzo[d][1,3,2]benzodioxaphosphepine]
CID 101450386
4,4,6,6-Tetrapyridin-3-yloxyspiro[1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,6'-benzo[d][1,3,2]benzodioxaphosphepine]
CID 102199832
2,6-Bis[bis(2-pyridylmethyl) aminoethyl]-4-methylphenol
CID 129693569
Orcinol:4,4-Bipyridyl
CID 139041925

Frequently Asked Questions

What is the IUPAC name of bis(2-methylphenolate);nickel(2+);hexakis(pyridine)?
The IUPAC name of bis(2-methylphenolate);nickel(2+);hexakis(pyridine) (CID 139170301) is bis(2-methylphenolate);nickel(2+);hexakis(pyridine).
What is the SMILES notation for bis(2-methylphenolate);nickel(2+);hexakis(pyridine)?
The canonical SMILES for bis(2-methylphenolate);nickel(2+);hexakis(pyridine) is Cc1ccccc1[O-].Cc1ccccc1[O-].[Ni+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of bis(2-methylphenolate);nickel(2+);hexakis(pyridine)?
The InChIKey is GCZSMEPGQGONPF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H8O.6C5H5N.Ni/c2*1-6-4-2-3-5-7(6)8;6*1-2-4-6-5-3-1;/h2*2-5,8H,1H3;6*1-5H;/q;;;;;;;;+2/p-2.
What are the key properties of bis(2-methylphenolate);nickel(2+);hexakis(pyridine)?
bis(2-methylphenolate);nickel(2+);hexakis(pyridine) has a molecular weight of 747.57 g/mol, XLogP of 8.62, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylphenolate);nickel(2+);hexakis(pyridine) is sourced from PubChem (CID 139170301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).