dizinc;bis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(pyridine)

C38H32N4O4Zn2 — CID 139074202

IUPACdizinc;bis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(pyridine)
SMILES[O-]c1ccccc1/C=N/Cc1ccccc1[O-].[O-]c1ccccc1/C=N/Cc1ccccc1[O-].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C14H13NO2.2C5H5N.2Zn/c2*16-13-7-3-1-5-11(13)9-15-10-12-6-2-4-8-14(12)17;2*1-2-4-6-5-3-1;;/h2*1-9,16-17H,10H2;2*1-5H;;/q;;;;2*+2/p-4/b2*15-9+;;;;
InChIKeyNFHPNLDJCFTHAK-QKJCUKERSA-J
MW739.48 g/mol
LogP5.06
Rot. Bonds6

About dizinc;bis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(pyridine)

dizinc;bis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(pyridine) (PubChem CID 139074202) has the molecular formula C38H32N4O4Zn2 and a molecular weight of 739.48 g/mol. Its IUPAC name is dizinc;bis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(pyridine).

Molecular Properties

Compound Namedizinc;bis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(pyridine)
PubChem CID139074202
Molecular FormulaC38H32N4O4Zn2
Molecular Weight739.48 g/mol
Exact Mass736.10
IUPAC Namedizinc;bis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(pyridine)
SMILES[O-]c1ccccc1/C=N/Cc1ccccc1[O-].[O-]c1ccccc1/C=N/Cc1ccccc1[O-].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C14H13NO2.2C5H5N.2Zn/c2*16-13-7-3-1-5-11(13)9-15-10-12-6-2-4-8-14(12)17;2*1-2-4-6-5-3-1;;/h2*1-9,16-17H,10H2;2*1-5H;;/q;;;;2*+2/p-4/b2*15-9+;;;;
InChIKeyNFHPNLDJCFTHAK-QKJCUKERSA-J
XLogP5.06
TPSA142.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.48
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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)methylideneamino]methyl]phenolate);bis(pyridine)?
The IUPAC name of dizinc;bis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(pyridine) (CID 139074202) is dizinc;bis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(pyridine).
What is the SMILES notation for dizinc;bis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(pyridine)?
The canonical SMILES for dizinc;bis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(pyridine) is [O-]c1ccccc1/C=N/Cc1ccccc1[O-].[O-]c1ccccc1/C=N/Cc1ccccc1[O-].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.
What is the InChIKey of dizinc;bis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(pyridine)?
The InChIKey is NFHPNLDJCFTHAK-QKJCUKERSA-J. The full InChI is InChI=1S/2C14H13NO2.2C5H5N.2Zn/c2*16-13-7-3-1-5-11(13)9-15-10-12-6-2-4-8-14(12)17;2*1-2-4-6-5-3-1;;/h2*1-9,16-17H,10H2;2*1-5H;;/q;;;;2*+2/p-4/b2*15-9+;;;;.
What are the key properties of dizinc;bis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(pyridine)?
dizinc;bis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(pyridine) has a molecular weight of 739.48 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;bis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(pyridine) is sourced from PubChem (CID 139074202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).