dizinc;bis((NE,1Z)-3-methoxy-N-[1-(2-oxidophenyl)ethylidene]benzenecarbohydrazonate);tetrakis(pyridine)

C52H48N8O6Zn2 — CID 139066864

IUPACdizinc;bis((NE,1Z)-3-methoxy-N-[1-(2-oxidophenyl)ethylidene]benzenecarbohydrazonate);tetrakis(pyridine)
SMILESCOc1cccc(/C([O-])=N/N=C(\C)c2ccccc2[O-])c1.COc1cccc(/C([O-])=N/N=C(\C)c2ccccc2[O-])c1.[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C16H16N2O3.4C5H5N.2Zn/c2*1-11(14-8-3-4-9-15(14)19)17-18-16(20)12-6-5-7-13(10-12)21-2;4*1-2-4-6-5-3-1;;/h2*3-10,19H,1-2H3,(H,18,20);4*1-5H;;/q;;;;;;2*+2/p-4/b2*17-11+;;;;;;
InChIKeyKNXJGGVFSAVFDA-HMOKJDEPSA-J
MW1011.79 g/mol
LogP6.92
Rot. Bonds8

About dizinc;bis((NE,1Z)-3-methoxy-N-[1-(2-oxidophenyl)ethylidene]benzenecarbohydrazonate);tetrakis(pyridine)

dizinc;bis((NE,1Z)-3-methoxy-N-[1-(2-oxidophenyl)ethylidene]benzenecarbohydrazonate);tetrakis(pyridine) (PubChem CID 139066864) has the molecular formula C52H48N8O6Zn2 and a molecular weight of 1011.79 g/mol. Its IUPAC name is dizinc;bis((NE,1Z)-3-methoxy-N-[1-(2-oxidophenyl)ethylidene]benzenecarbohydrazonate);tetrakis(pyridine).

Molecular Properties

Compound Namedizinc;bis((NE,1Z)-3-methoxy-N-[1-(2-oxidophenyl)ethylidene]benzenecarbohydrazonate);tetrakis(pyridine)
PubChem CID139066864
Molecular FormulaC52H48N8O6Zn2
Molecular Weight1011.79 g/mol
Exact Mass1008.23
IUPAC Namedizinc;bis((NE,1Z)-3-methoxy-N-[1-(2-oxidophenyl)ethylidene]benzenecarbohydrazonate);tetrakis(pyridine)
SMILESCOc1cccc(/C([O-])=N/N=C(\C)c2ccccc2[O-])c1.COc1cccc(/C([O-])=N/N=C(\C)c2ccccc2[O-])c1.[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C16H16N2O3.4C5H5N.2Zn/c2*1-11(14-8-3-4-9-15(14)19)17-18-16(20)12-6-5-7-13(10-12)21-2;4*1-2-4-6-5-3-1;;/h2*3-10,19H,1-2H3,(H,18,20);4*1-5H;;/q;;;;;;2*+2/p-4/b2*17-11+;;;;;;
InChIKeyKNXJGGVFSAVFDA-HMOKJDEPSA-J
XLogP6.92
TPSA211.70 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001011.79
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze dizinc;bis((NE,1Z)-3-methoxy-N-[1-(2-oxidophenyl)ethylidene]benzenecarbohydrazonate);tetrakis(pyridine) with MolForge

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Related Compounds

N,N,N',N'-tetrakis[(6-methoxyisoquinolin-1-yl)methyl]ethane-1,2-diamine
CID 101797752
[2-Methoxy-N'-(2-oxidobenzoyl)benzohydrazidato(3-)]dipyridinetrizinc(II)
CID 139070843
[N'-(3-Methoxy-2-oxidobenzylidene-kappaO^2^)benzohydrazidato-kappa^2^N',O]tris(pyridine-kappaN)cobalt(III) perchlorate
CID 139080717
[mu~2~-N^2^,N^2'^-Bis(3-methoxy-2-oxidobenzylidene)benzene-1,3-dicarbohydrazidato]bis[pyridinecopper(II)]
CID 139086204
tetrakis((NE,1Z)-4-decoxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);bis(iron(2+))
CID 139125815
N,N-bis[(7-methoxyisoquinolin-1-yl)methyl]-1-pyridin-2-ylmethanamine
CID 139164271
dicopper;bis((NE,Z)-N-[(3-methoxy-2-oxidophenyl)methylidene]benzenecarbohydrazonate);4-pyridin-4-ylpyridine
CID 139177739
4-(4-Methoxynaphthalen-1-yl)-2,6-dipyridin-2-ylpyridine
CID 139192534
cobalt(2+);tetrakis((E)-1-(2,5-dimethoxyphenyl)-N-pyridin-2-ylmethanimine);diperchlorate
CID 139202815
Iridium(3+);tris(2-(3-methoxyphenyl)pyridine)
CID 22939722
3-[3-(1,5-Dimethoxy-4,8-dipyridin-3-ylnaphthalen-2-yl)-4,8-dimethoxy-5-pyridin-3-ylnaphthalen-1-yl]pyridine
CID 57746040
3-[3-[3-[3-[3-[[3-[[3-[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]methyl]phenyl]methoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 57968016

Frequently Asked Questions

What is the IUPAC name of dizinc;bis((NE,1Z)-3-methoxy-N-[1-(2-oxidophenyl)ethylidene]benzenecarbohydrazonate);tetrakis(pyridine)?
The IUPAC name of dizinc;bis((NE,1Z)-3-methoxy-N-[1-(2-oxidophenyl)ethylidene]benzenecarbohydrazonate);tetrakis(pyridine) (CID 139066864) is dizinc;bis((NE,1Z)-3-methoxy-N-[1-(2-oxidophenyl)ethylidene]benzenecarbohydrazonate);tetrakis(pyridine).
What is the SMILES notation for dizinc;bis((NE,1Z)-3-methoxy-N-[1-(2-oxidophenyl)ethylidene]benzenecarbohydrazonate);tetrakis(pyridine)?
The canonical SMILES for dizinc;bis((NE,1Z)-3-methoxy-N-[1-(2-oxidophenyl)ethylidene]benzenecarbohydrazonate);tetrakis(pyridine) is COc1cccc(/C([O-])=N/N=C(\C)c2ccccc2[O-])c1.COc1cccc(/C([O-])=N/N=C(\C)c2ccccc2[O-])c1.[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of dizinc;bis((NE,1Z)-3-methoxy-N-[1-(2-oxidophenyl)ethylidene]benzenecarbohydrazonate);tetrakis(pyridine)?
The InChIKey is KNXJGGVFSAVFDA-HMOKJDEPSA-J. The full InChI is InChI=1S/2C16H16N2O3.4C5H5N.2Zn/c2*1-11(14-8-3-4-9-15(14)19)17-18-16(20)12-6-5-7-13(10-12)21-2;4*1-2-4-6-5-3-1;;/h2*3-10,19H,1-2H3,(H,18,20);4*1-5H;;/q;;;;;;2*+2/p-4/b2*17-11+;;;;;;.
What are the key properties of dizinc;bis((NE,1Z)-3-methoxy-N-[1-(2-oxidophenyl)ethylidene]benzenecarbohydrazonate);tetrakis(pyridine)?
dizinc;bis((NE,1Z)-3-methoxy-N-[1-(2-oxidophenyl)ethylidene]benzenecarbohydrazonate);tetrakis(pyridine) has a molecular weight of 1011.79 g/mol, XLogP of 6.92, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;bis((NE,1Z)-3-methoxy-N-[1-(2-oxidophenyl)ethylidene]benzenecarbohydrazonate);tetrakis(pyridine) is sourced from PubChem (CID 139066864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).