tetrazinc;methanol;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(4-pyridin-4-ylpyridine)

C88H88N12O12Zn4 — CID 139206902

IUPACtetrazinc;methanol;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(4-pyridin-4-ylpyridine)
SMILESCO.CO.CO.CO.[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/4C16H16N2O2.2C10H8N2.4CH4O.4Zn/c4*19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;2*1-5-11-6-2-9(1)10-3-7-12-8-4-10;4*1-2;;;;/h4*1-8,11-12,19-20H,9-10H2;2*1-8H;4*2H,1H3;;;;/q;;;;;;;;;;4*+2/p-8/b4*17-11+,18-12+;;;;;;;;;;
InChIKeyPCDVPBVPYFOTGZ-JYKIHEIFSA-F
MW1767.30 g/mol
LogP8.20
Rot. Bonds22

About tetrazinc;methanol;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(4-pyridin-4-ylpyridine)

tetrazinc;methanol;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(4-pyridin-4-ylpyridine) (PubChem CID 139206902) has the molecular formula C88H88N12O12Zn4 and a molecular weight of 1767.30 g/mol. Its IUPAC name is tetrazinc;methanol;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(4-pyridin-4-ylpyridine).

Molecular Properties

Compound Nametetrazinc;methanol;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(4-pyridin-4-ylpyridine)
PubChem CID139206902
Molecular FormulaC88H88N12O12Zn4
Molecular Weight1767.30 g/mol
Exact Mass1760.38
IUPAC Nametetrazinc;methanol;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(4-pyridin-4-ylpyridine)
SMILESCO.CO.CO.CO.[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/4C16H16N2O2.2C10H8N2.4CH4O.4Zn/c4*19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;2*1-5-11-6-2-9(1)10-3-7-12-8-4-10;4*1-2;;;;/h4*1-8,11-12,19-20H,9-10H2;2*1-8H;4*2H,1H3;;;;/q;;;;;;;;;;4*+2/p-8/b4*17-11+,18-12+;;;;;;;;;;
InChIKeyPCDVPBVPYFOTGZ-JYKIHEIFSA-F
XLogP8.20
TPSA415.84 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001767.30
LogP ≤ 58.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze tetrazinc;methanol;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(4-pyridin-4-ylpyridine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis((NZ,N'Z,1E,2Z)-N,N'-bis[oxido-(2-oxidophenyl)methylidene]ethanedihydrazonate);tris(cobalt(2+));bis(cobalt(3+));dodecakis(pyridine)
CID 139043809
Bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);tetrakis(oxygen(2-));bis(pyridine);uranium
CID 139052350
Bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);tris(iron(3+));tetrakis(oxygen(2-));nonakis(pyridine);bis(uranium(4+));diiodide
CID 139052352
Bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);hexane;bis(iron(3+));tetrakis(oxygen(2-));octakis(pyridine);bis(uranium(4+))
CID 139052353
Bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);bis(oxygen(2-));tris(pyridine);bis(uranium(4+));iodide
CID 139052354
(4-Ethylpyridine)(N-salicylideneglycinato)copper(II) Tetramer
CID 139055536
Tetrakis[6-methyl-2-({[(pyridin-2-yl)methyl]imino}methyl)phenolato-1:2kappa^8^N,N',O:O;3:2kappa^8^N,N',O:O]trizinc(II) hexafluoridophosphate methanol monosolvate
CID 139062125
Aqua(4-methylquinoline-kappaN)[N-(2-oxidobenzylidene)glycinato-kappa^3^O,N,O']copper(II) hemihydrate
CID 139074347
Bis[mu-N'-(2-methyl-1-oxidopropanylidene)-2-oxidobenzohydrazidato]tetrapyridinetrinickel(II)
CID 139081978
trans-{2,2'-[Ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-kappa^4^O,N,N',O'}(nitro-kappaN)(pyridine-kappaN)cobalt(III)
CID 139088711
Tris(iron(2+));hexakis(2-propan-2-ylphenolate);nonakis(pyridine)
CID 139135843
Hexakis(2-tert-butylphenolate);tris(iron(2+));nonakis(pyridine)
CID 139135844

Frequently Asked Questions

What is the IUPAC name of tetrazinc;methanol;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(4-pyridin-4-ylpyridine)?
The IUPAC name of tetrazinc;methanol;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(4-pyridin-4-ylpyridine) (CID 139206902) is tetrazinc;methanol;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(4-pyridin-4-ylpyridine).
What is the SMILES notation for tetrazinc;methanol;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(4-pyridin-4-ylpyridine)?
The canonical SMILES for tetrazinc;methanol;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(4-pyridin-4-ylpyridine) is CO.CO.CO.CO.[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of tetrazinc;methanol;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(4-pyridin-4-ylpyridine)?
The InChIKey is PCDVPBVPYFOTGZ-JYKIHEIFSA-F. The full InChI is InChI=1S/4C16H16N2O2.2C10H8N2.4CH4O.4Zn/c4*19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;2*1-5-11-6-2-9(1)10-3-7-12-8-4-10;4*1-2;;;;/h4*1-8,11-12,19-20H,9-10H2;2*1-8H;4*2H,1H3;;;;/q;;;;;;;;;;4*+2/p-8/b4*17-11+,18-12+;;;;;;;;;;.
What are the key properties of tetrazinc;methanol;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(4-pyridin-4-ylpyridine)?
tetrazinc;methanol;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(4-pyridin-4-ylpyridine) has a molecular weight of 1767.30 g/mol, XLogP of 8.20, 22 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tetrazinc;methanol;tetrakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(4-pyridin-4-ylpyridine) is sourced from PubChem (CID 139206902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).