dizinc;bis(2-[(2-oxidophenyl)iminomethyl]phenolate);tetrakis(pyridine)

C46H38N6O4Zn2 — CID 139200414

IUPACdizinc;bis(2-[(2-oxidophenyl)iminomethyl]phenolate);tetrakis(pyridine)
SMILES[O-]c1ccccc1/C=N/c1ccccc1[O-].[O-]c1ccccc1/C=N/c1ccccc1[O-].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C13H11NO2.4C5H5N.2Zn/c2*15-12-7-3-1-5-10(12)9-14-11-6-2-4-8-13(11)16;4*1-2-4-6-5-3-1;;/h2*1-9,15-16H;4*1-5H;;/q;;;;;;2*+2/p-4/b2*14-9+;;;;;;
InChIKeyILXLHRZMNVAHND-GZAJLCFBSA-J
MW869.63 g/mol
LogP7.49
Rot. Bonds4

About dizinc;bis(2-[(2-oxidophenyl)iminomethyl]phenolate);tetrakis(pyridine)

dizinc;bis(2-[(2-oxidophenyl)iminomethyl]phenolate);tetrakis(pyridine) (PubChem CID 139200414) has the molecular formula C46H38N6O4Zn2 and a molecular weight of 869.63 g/mol. Its IUPAC name is dizinc;bis(2-[(2-oxidophenyl)iminomethyl]phenolate);tetrakis(pyridine).

Molecular Properties

Compound Namedizinc;bis(2-[(2-oxidophenyl)iminomethyl]phenolate);tetrakis(pyridine)
PubChem CID139200414
Molecular FormulaC46H38N6O4Zn2
Molecular Weight869.63 g/mol
Exact Mass866.15
IUPAC Namedizinc;bis(2-[(2-oxidophenyl)iminomethyl]phenolate);tetrakis(pyridine)
SMILES[O-]c1ccccc1/C=N/c1ccccc1[O-].[O-]c1ccccc1/C=N/c1ccccc1[O-].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C13H11NO2.4C5H5N.2Zn/c2*15-12-7-3-1-5-10(12)9-14-11-6-2-4-8-13(11)16;4*1-2-4-6-5-3-1;;/h2*1-9,15-16H;4*1-5H;;/q;;;;;;2*+2/p-4/b2*14-9+;;;;;;
InChIKeyILXLHRZMNVAHND-GZAJLCFBSA-J
XLogP7.49
TPSA168.52 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.63
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dizinc;bis(2-[(2-oxidophenyl)iminomethyl]phenolate);tetrakis(pyridine)?
The IUPAC name of dizinc;bis(2-[(2-oxidophenyl)iminomethyl]phenolate);tetrakis(pyridine) (CID 139200414) is dizinc;bis(2-[(2-oxidophenyl)iminomethyl]phenolate);tetrakis(pyridine).
What is the SMILES notation for dizinc;bis(2-[(2-oxidophenyl)iminomethyl]phenolate);tetrakis(pyridine)?
The canonical SMILES for dizinc;bis(2-[(2-oxidophenyl)iminomethyl]phenolate);tetrakis(pyridine) is [O-]c1ccccc1/C=N/c1ccccc1[O-].[O-]c1ccccc1/C=N/c1ccccc1[O-].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of dizinc;bis(2-[(2-oxidophenyl)iminomethyl]phenolate);tetrakis(pyridine)?
The InChIKey is ILXLHRZMNVAHND-GZAJLCFBSA-J. The full InChI is InChI=1S/2C13H11NO2.4C5H5N.2Zn/c2*15-12-7-3-1-5-10(12)9-14-11-6-2-4-8-13(11)16;4*1-2-4-6-5-3-1;;/h2*1-9,15-16H;4*1-5H;;/q;;;;;;2*+2/p-4/b2*14-9+;;;;;;.
What are the key properties of dizinc;bis(2-[(2-oxidophenyl)iminomethyl]phenolate);tetrakis(pyridine)?
dizinc;bis(2-[(2-oxidophenyl)iminomethyl]phenolate);tetrakis(pyridine) has a molecular weight of 869.63 g/mol, XLogP of 7.49, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;bis(2-[(2-oxidophenyl)iminomethyl]phenolate);tetrakis(pyridine) is sourced from PubChem (CID 139200414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).