zinc;bis((1Z)-2-hydroxy-N-propan-2-ylidenebenzenecarbohydrazonate);bis(pyridine)

C30H32N6O4Zn — CID 139075998

IUPACzinc;bis((1Z)-2-hydroxy-N-propan-2-ylidenebenzenecarbohydrazonate);bis(pyridine)
SMILESCC(C)=N/N=C(\[O-])c1ccccc1O.CC(C)=N/N=C(\[O-])c1ccccc1O.[Zn+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C10H12N2O2.2C5H5N.Zn/c2*1-7(2)11-12-10(14)8-5-3-4-6-9(8)13;2*1-2-4-6-5-3-1;/h2*3-6,13H,1-2H3,(H,12,14);2*1-5H;/q;;;;+2/p-2
InChIKeyOKQDABIPBRHGAU-UHFFFAOYSA-L
MW606.01 g/mol
LogP3.95
Rot. Bonds4

About zinc;bis((1Z)-2-hydroxy-N-propan-2-ylidenebenzenecarbohydrazonate);bis(pyridine)

zinc;bis((1Z)-2-hydroxy-N-propan-2-ylidenebenzenecarbohydrazonate);bis(pyridine) (PubChem CID 139075998) has the molecular formula C30H32N6O4Zn and a molecular weight of 606.01 g/mol. Its IUPAC name is zinc;bis((1Z)-2-hydroxy-N-propan-2-ylidenebenzenecarbohydrazonate);bis(pyridine).

Molecular Properties

Compound Namezinc;bis((1Z)-2-hydroxy-N-propan-2-ylidenebenzenecarbohydrazonate);bis(pyridine)
PubChem CID139075998
Molecular FormulaC30H32N6O4Zn
Molecular Weight606.01 g/mol
Exact Mass604.18
IUPAC Namezinc;bis((1Z)-2-hydroxy-N-propan-2-ylidenebenzenecarbohydrazonate);bis(pyridine)
SMILESCC(C)=N/N=C(\[O-])c1ccccc1O.CC(C)=N/N=C(\[O-])c1ccccc1O.[Zn+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C10H12N2O2.2C5H5N.Zn/c2*1-7(2)11-12-10(14)8-5-3-4-6-9(8)13;2*1-2-4-6-5-3-1;/h2*3-6,13H,1-2H3,(H,12,14);2*1-5H;/q;;;;+2/p-2
InChIKeyOKQDABIPBRHGAU-UHFFFAOYSA-L
XLogP3.95
TPSA161.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.01
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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'}

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Related Compounds

3-(2,4-Dihydroxybenzylidene)anabaseine
CID 135461178
Alpha-(2-pyridylmethylene)-O-cresol
CID 642844
3-(4-Phenyl-6-pyridin-4-yl-2-pyridinyl)phenol
CID 46861757
3-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 46887284
3-(3,5-Dimethyl-4-hydroxybenzylidene)anabaseine
CID 135869163
3-[6-(4-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091038
4-[6-(4-Hydroxyphenyl)-4-pyridin-3-yl-2-pyridinyl]phenol
CID 137091044
4-[1-(4-Hydroxyphenyl)-2-methyl-3-pyridin-3-ylprop-1-enyl]phenol
CID 166625710
4-[1-(4-Hydroxyphenyl)-2-pyridin-3-ylprop-1-enyl]phenol
CID 166628679
4-[1-(4-Hydroxyphenyl)-2-(pyridin-3-ylmethyl)but-1-enyl]phenol
CID 166629948
4-[1-(4-Hydroxyphenyl)-2-methyl-4-pyridin-3-ylbut-1-enyl]phenol
CID 166634744
4-[2-Ethyl-1-(4-hydroxyphenyl)-4-pyridin-3-ylbut-1-enyl]phenol
CID 166635135

Frequently Asked Questions

What is the IUPAC name of zinc;bis((1Z)-2-hydroxy-N-propan-2-ylidenebenzenecarbohydrazonate);bis(pyridine)?
The IUPAC name of zinc;bis((1Z)-2-hydroxy-N-propan-2-ylidenebenzenecarbohydrazonate);bis(pyridine) (CID 139075998) is zinc;bis((1Z)-2-hydroxy-N-propan-2-ylidenebenzenecarbohydrazonate);bis(pyridine).
What is the SMILES notation for zinc;bis((1Z)-2-hydroxy-N-propan-2-ylidenebenzenecarbohydrazonate);bis(pyridine)?
The canonical SMILES for zinc;bis((1Z)-2-hydroxy-N-propan-2-ylidenebenzenecarbohydrazonate);bis(pyridine) is CC(C)=N/N=C(\[O-])c1ccccc1O.CC(C)=N/N=C(\[O-])c1ccccc1O.[Zn+2].c1ccncc1.c1ccncc1.
What is the InChIKey of zinc;bis((1Z)-2-hydroxy-N-propan-2-ylidenebenzenecarbohydrazonate);bis(pyridine)?
The InChIKey is OKQDABIPBRHGAU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H12N2O2.2C5H5N.Zn/c2*1-7(2)11-12-10(14)8-5-3-4-6-9(8)13;2*1-2-4-6-5-3-1;/h2*3-6,13H,1-2H3,(H,12,14);2*1-5H;/q;;;;+2/p-2.
What are the key properties of zinc;bis((1Z)-2-hydroxy-N-propan-2-ylidenebenzenecarbohydrazonate);bis(pyridine)?
zinc;bis((1Z)-2-hydroxy-N-propan-2-ylidenebenzenecarbohydrazonate);bis(pyridine) has a molecular weight of 606.01 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis((1Z)-2-hydroxy-N-propan-2-ylidenebenzenecarbohydrazonate);bis(pyridine) is sourced from PubChem (CID 139075998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).