bis((NE,2Z)-3-hydroxy-N-(pyridin-2-ylmethylidene)naphthalene-2-carbohydrazonate);nickel(2+)

C34H24N6NiO4 — CID 139073342

IUPACbis((NE,2Z)-3-hydroxy-N-(pyridin-2-ylmethylidene)naphthalene-2-carbohydrazonate);nickel(2+)
SMILES[Ni+2].[O-]/C(=N\N=C/c1ccccn1)c1cc2ccccc2cc1O.[O-]/C(=N\N=C\c1ccccn1)c1cc2ccccc2cc1O
InChIInChI=1S/2C17H13N3O2.Ni/c2*21-16-10-13-6-2-1-5-12(13)9-15(16)17(22)20-19-11-14-7-3-4-8-18-14;/h2*1-11,21H,(H,20,22);/q;;+2/p-2/b19-11+;19-11-;
InChIKeyNGBBMCKIKGGLEB-ACPOXNRLSA-L
MW639.30 g/mol
LogP4.16
Rot. Bonds6

About bis((NE,2Z)-3-hydroxy-N-(pyridin-2-ylmethylidene)naphthalene-2-carbohydrazonate);nickel(2+)

bis((NE,2Z)-3-hydroxy-N-(pyridin-2-ylmethylidene)naphthalene-2-carbohydrazonate);nickel(2+) (PubChem CID 139073342) has the molecular formula C34H24N6NiO4 and a molecular weight of 639.30 g/mol. Its IUPAC name is bis((NE,2Z)-3-hydroxy-N-(pyridin-2-ylmethylidene)naphthalene-2-carbohydrazonate);nickel(2+).

Molecular Properties

Compound Namebis((NE,2Z)-3-hydroxy-N-(pyridin-2-ylmethylidene)naphthalene-2-carbohydrazonate);nickel(2+)
PubChem CID139073342
Molecular FormulaC34H24N6NiO4
Molecular Weight639.30 g/mol
Exact Mass638.12
IUPAC Namebis((NE,2Z)-3-hydroxy-N-(pyridin-2-ylmethylidene)naphthalene-2-carbohydrazonate);nickel(2+)
SMILES[Ni+2].[O-]/C(=N\N=C/c1ccccn1)c1cc2ccccc2cc1O.[O-]/C(=N\N=C\c1ccccn1)c1cc2ccccc2cc1O
InChIInChI=1S/2C17H13N3O2.Ni/c2*21-16-10-13-6-2-1-5-12(13)9-15(16)17(22)20-19-11-14-7-3-4-8-18-14;/h2*1-11,21H,(H,20,22);/q;;+2/p-2/b19-11+;19-11-;
InChIKeyNGBBMCKIKGGLEB-ACPOXNRLSA-L
XLogP4.16
TPSA161.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500639.30
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze bis((NE,2Z)-3-hydroxy-N-(pyridin-2-ylmethylidene)naphthalene-2-carbohydrazonate);nickel(2+) 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

6-(3-Hydroxyphenyl)-1-(pyridin-3-yl)-2-naphthol
CID 24970356
6-(3-Hydroxyphenyl)-1-(pyridin-4-yl)-2-naphthol
CID 135955190
3-[(E)-N-hydroxy-C-[(E)-2-pyridin-3-ylethenyl]carbonimidoyl]naphthalen-2-ol
CID 136094869
3-[(E)-N-hydroxy-C-[(E)-2-pyridin-4-ylethenyl]carbonimidoyl]naphthalen-2-ol
CID 136094870
3-[(E)-N-hydroxy-C-[(E)-2-pyridin-2-ylethenyl]carbonimidoyl]naphthalen-2-ol
CID 136094875
1-[(4-Hydroxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol
CID 162646914
copper bis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate)
CID 135439973
(S)-3,3'-Di(pyridin-2-yl)-[1,1'-binapthalene]-2,2'-diol
CID 135481002
1-(2-Hydroxynaphthalen-1-yl)-3-[[propan-2-yl(pyridin-3-yl)amino]methyl]naphthalen-2-ol
CID 11212694
1-(Isoquinolin-1-yl)naphthalen-2-ol
CID 135454774
6-Hydroxy-2,7-dimethyl-4,5-di(pyridin-2-yl)phenanthren-3-yl borodifluoridate
CID 136661086
3-(3-Fluoro-2-pyridinyl)-1-[3-(3-fluoro-2-pyridinyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 136901811

Frequently Asked Questions

What is the IUPAC name of bis((NE,2Z)-3-hydroxy-N-(pyridin-2-ylmethylidene)naphthalene-2-carbohydrazonate);nickel(2+)?
The IUPAC name of bis((NE,2Z)-3-hydroxy-N-(pyridin-2-ylmethylidene)naphthalene-2-carbohydrazonate);nickel(2+) (CID 139073342) is bis((NE,2Z)-3-hydroxy-N-(pyridin-2-ylmethylidene)naphthalene-2-carbohydrazonate);nickel(2+).
What is the SMILES notation for bis((NE,2Z)-3-hydroxy-N-(pyridin-2-ylmethylidene)naphthalene-2-carbohydrazonate);nickel(2+)?
The canonical SMILES for bis((NE,2Z)-3-hydroxy-N-(pyridin-2-ylmethylidene)naphthalene-2-carbohydrazonate);nickel(2+) is [Ni+2].[O-]/C(=N\N=C/c1ccccn1)c1cc2ccccc2cc1O.[O-]/C(=N\N=C\c1ccccn1)c1cc2ccccc2cc1O.
What is the InChIKey of bis((NE,2Z)-3-hydroxy-N-(pyridin-2-ylmethylidene)naphthalene-2-carbohydrazonate);nickel(2+)?
The InChIKey is NGBBMCKIKGGLEB-ACPOXNRLSA-L. The full InChI is InChI=1S/2C17H13N3O2.Ni/c2*21-16-10-13-6-2-1-5-12(13)9-15(16)17(22)20-19-11-14-7-3-4-8-18-14;/h2*1-11,21H,(H,20,22);/q;;+2/p-2/b19-11+;19-11-;.
What are the key properties of bis((NE,2Z)-3-hydroxy-N-(pyridin-2-ylmethylidene)naphthalene-2-carbohydrazonate);nickel(2+)?
bis((NE,2Z)-3-hydroxy-N-(pyridin-2-ylmethylidene)naphthalene-2-carbohydrazonate);nickel(2+) has a molecular weight of 639.30 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis((NE,2Z)-3-hydroxy-N-(pyridin-2-ylmethylidene)naphthalene-2-carbohydrazonate);nickel(2+) is sourced from PubChem (CID 139073342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).