tetrazinc;tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate)

C64H52N12O16Zn4 — CID 139174836

IUPACtetrazinc;tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate)
SMILESCOC(=O)c1cccc(/C([O-])=N/N=C(/C)c2ccccc2[O-])n1.COC(=O)c1cccc(/C([O-])=N/N=C(/C)c2ccccc2[O-])n1.COC(=O)c1cccc(/C([O-])=N/N=C(/C)c2ccccc2[O-])n1.COC(=O)c1cccc(/C([O-])=N/N=C(/C)c2ccccc2[O-])n1.[Zn+2].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/4C16H15N3O4.4Zn/c4*1-10(11-6-3-4-9-14(11)20)18-19-15(21)12-7-5-8-13(17-12)16(22)23-2;;;;/h4*3-9,20H,1-2H3,(H,19,21);;;;/q;;;;4*+2/p-8/b4*18-10-;;;;
InChIKeyIPGNLXIREMHRLA-ADZRODFJSA-F
MW1506.75 g/mol
LogP1.88
Rot. Bonds16

About tetrazinc;tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate)

tetrazinc;tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate) (PubChem CID 139174836) has the molecular formula C64H52N12O16Zn4 and a molecular weight of 1506.75 g/mol. Its IUPAC name is tetrazinc;tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate).

Molecular Properties

Compound Nametetrazinc;tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate)
PubChem CID139174836
Molecular FormulaC64H52N12O16Zn4
Molecular Weight1506.75 g/mol
Exact Mass1500.08
IUPAC Nametetrazinc;tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate)
SMILESCOC(=O)c1cccc(/C([O-])=N/N=C(/C)c2ccccc2[O-])n1.COC(=O)c1cccc(/C([O-])=N/N=C(/C)c2ccccc2[O-])n1.COC(=O)c1cccc(/C([O-])=N/N=C(/C)c2ccccc2[O-])n1.COC(=O)c1cccc(/C([O-])=N/N=C(/C)c2ccccc2[O-])n1.[Zn+2].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/4C16H15N3O4.4Zn/c4*1-10(11-6-3-4-9-14(11)20)18-19-15(21)12-7-5-8-13(17-12)16(22)23-2;;;;/h4*3-9,20H,1-2H3,(H,19,21);;;;/q;;;;4*+2/p-8/b4*18-10-;;;;
InChIKeyIPGNLXIREMHRLA-ADZRODFJSA-F
XLogP1.88
TPSA440.12 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds16
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001506.75
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', '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

Methanolate;tetrakis(4-methoxyquinoline-2-carboxylate);bis(oxygen(2-));rhenium
CID 139160339
tetracopper;chloroform;tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate)
CID 139174834
chloroform;tetrakis(cobalt(2+));tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate)
CID 139174837
Trizinc;tetrakis(6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate);bis(dysprosium(3+));bis(2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate)
CID 139189277

Frequently Asked Questions

What is the IUPAC name of tetrazinc;tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate)?
The IUPAC name of tetrazinc;tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate) (CID 139174836) is tetrazinc;tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate).
What is the SMILES notation for tetrazinc;tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate)?
The canonical SMILES for tetrazinc;tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate) is COC(=O)c1cccc(/C([O-])=N/N=C(/C)c2ccccc2[O-])n1.COC(=O)c1cccc(/C([O-])=N/N=C(/C)c2ccccc2[O-])n1.COC(=O)c1cccc(/C([O-])=N/N=C(/C)c2ccccc2[O-])n1.COC(=O)c1cccc(/C([O-])=N/N=C(/C)c2ccccc2[O-])n1.[Zn+2].[Zn+2].[Zn+2].[Zn+2].
What is the InChIKey of tetrazinc;tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate)?
The InChIKey is IPGNLXIREMHRLA-ADZRODFJSA-F. The full InChI is InChI=1S/4C16H15N3O4.4Zn/c4*1-10(11-6-3-4-9-14(11)20)18-19-15(21)12-7-5-8-13(17-12)16(22)23-2;;;;/h4*3-9,20H,1-2H3,(H,19,21);;;;/q;;;;4*+2/p-8/b4*18-10-;;;;.
What are the key properties of tetrazinc;tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate)?
tetrazinc;tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate) has a molecular weight of 1506.75 g/mol, XLogP of 1.88, 16 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tetrazinc;tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate) is sourced from PubChem (CID 139174836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).