zinc;bis((NZ,Z)-N-[1-(2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)

C40H36N6O4Zn — CID 139066729

IUPACzinc;bis((NZ,Z)-N-[1-(2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)
SMILESC/C(=N\N=C(/[O-])c1ccccc1)c1ccccc1O.C/C(=N\N=C(/[O-])c1ccccc1)c1ccccc1O.[Zn+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C15H14N2O2.2C5H5N.Zn/c2*1-11(13-9-5-6-10-14(13)18)16-17-15(19)12-7-3-2-4-8-12;2*1-2-4-6-5-3-1;/h2*2-10,18H,1H3,(H,17,19);2*1-5H;/q;;;;+2/p-2/b2*16-11+;;;
InChIKeyMPXQIAMDTOOOBK-MHTCHDGASA-L
MW730.16 g/mol
LogP6.01
Rot. Bonds6

About zinc;bis((NZ,Z)-N-[1-(2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)

zinc;bis((NZ,Z)-N-[1-(2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine) (PubChem CID 139066729) has the molecular formula C40H36N6O4Zn and a molecular weight of 730.16 g/mol. Its IUPAC name is zinc;bis((NZ,Z)-N-[1-(2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine).

Molecular Properties

Compound Namezinc;bis((NZ,Z)-N-[1-(2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)
PubChem CID139066729
Molecular FormulaC40H36N6O4Zn
Molecular Weight730.16 g/mol
Exact Mass728.21
IUPAC Namezinc;bis((NZ,Z)-N-[1-(2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)
SMILESC/C(=N\N=C(/[O-])c1ccccc1)c1ccccc1O.C/C(=N\N=C(/[O-])c1ccccc1)c1ccccc1O.[Zn+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C15H14N2O2.2C5H5N.Zn/c2*1-11(13-9-5-6-10-14(13)18)16-17-15(19)12-7-3-2-4-8-12;2*1-2-4-6-5-3-1;/h2*2-10,18H,1H3,(H,17,19);2*1-5H;/q;;;;+2/p-2/b2*16-11+;;;
InChIKeyMPXQIAMDTOOOBK-MHTCHDGASA-L
XLogP6.01
TPSA161.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.16
LogP ≤ 56.01
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-(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
(2S)-N-Hydroxybenzylanabasine
CID 29955678
3-[3-methyl-5-[3-[(E)-2-phenylethenyl]-5-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]phenol
CID 118352515

Frequently Asked Questions

What is the IUPAC name of zinc;bis((NZ,Z)-N-[1-(2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)?
The IUPAC name of zinc;bis((NZ,Z)-N-[1-(2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine) (CID 139066729) is zinc;bis((NZ,Z)-N-[1-(2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine).
What is the SMILES notation for zinc;bis((NZ,Z)-N-[1-(2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)?
The canonical SMILES for zinc;bis((NZ,Z)-N-[1-(2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine) is C/C(=N\N=C(/[O-])c1ccccc1)c1ccccc1O.C/C(=N\N=C(/[O-])c1ccccc1)c1ccccc1O.[Zn+2].c1ccncc1.c1ccncc1.
What is the InChIKey of zinc;bis((NZ,Z)-N-[1-(2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)?
The InChIKey is MPXQIAMDTOOOBK-MHTCHDGASA-L. The full InChI is InChI=1S/2C15H14N2O2.2C5H5N.Zn/c2*1-11(13-9-5-6-10-14(13)18)16-17-15(19)12-7-3-2-4-8-12;2*1-2-4-6-5-3-1;/h2*2-10,18H,1H3,(H,17,19);2*1-5H;/q;;;;+2/p-2/b2*16-11+;;;.
What are the key properties of zinc;bis((NZ,Z)-N-[1-(2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine)?
zinc;bis((NZ,Z)-N-[1-(2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine) has a molecular weight of 730.16 g/mol, XLogP of 6.01, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis((NZ,Z)-N-[1-(2-hydroxyphenyl)ethylidene]benzenecarbohydrazonate);bis(pyridine) is sourced from PubChem (CID 139066729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).