bis(cobalt(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(pyridine);dinitrite

C42H38Co2N8O8 — CID 139088711

IUPACbis(cobalt(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(pyridine);dinitrite
SMILESO=N[O-].O=N[O-].[Co+3].[Co+3].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].c1ccncc1.c1ccncc1
InChIInChI=1S/2C16H16N2O2.2C5H5N.2Co.2HNO2/c2*19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;2*1-2-4-6-5-3-1;;;2*2-1-3/h2*1-8,11-12,19-20H,9-10H2;2*1-5H;;;2*(H,2,3)/q;;;;2*+3;;/p-6/b2*17-11+,18-12+;;;;;;
InChIKeyYESANFOPHOHLJK-QCMKXXNMSA-H
MW900.68 g/mol
LogP5.40
Rot. Bonds10

About bis(cobalt(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(pyridine);dinitrite

bis(cobalt(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(pyridine);dinitrite (PubChem CID 139088711) has the molecular formula C42H38Co2N8O8 and a molecular weight of 900.68 g/mol. Its IUPAC name is bis(cobalt(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(pyridine);dinitrite.

Molecular Properties

Compound Namebis(cobalt(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(pyridine);dinitrite
PubChem CID139088711
Molecular FormulaC42H38Co2N8O8
Molecular Weight900.68 g/mol
Exact Mass900.15
IUPAC Namebis(cobalt(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(pyridine);dinitrite
SMILESO=N[O-].O=N[O-].[Co+3].[Co+3].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].c1ccncc1.c1ccncc1
InChIInChI=1S/2C16H16N2O2.2C5H5N.2Co.2HNO2/c2*19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;2*1-2-4-6-5-3-1;;;2*2-1-3/h2*1-8,11-12,19-20H,9-10H2;2*1-5H;;;2*(H,2,3)/q;;;;2*+3;;/p-6/b2*17-11+,18-12+;;;;;;
InChIKeyYESANFOPHOHLJK-QCMKXXNMSA-H
XLogP5.40
TPSA272.44 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500900.68
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dizinc;2-[[(1S)-1-pyridin-2-ylethyl]iminomethyl]phenolate;2-[[(1R)-1-pyridin-2-ylethyl]iminomethyl]phenolate;dicyanate
CID 139041445
dizinc;2-[[(S)-phenyl(pyridin-2-yl)methyl]iminomethyl]phenolate;2-[[(R)-phenyl(pyridin-2-yl)methyl]iminomethyl]phenolate;dicyanate
CID 139041446
bis((NZ,N'Z,1E,2Z)-N,N'-bis[oxido-(2-oxidophenyl)methylidene]ethanedihydrazonate);tris(cobalt(2+));bis(cobalt(3+));dodecakis(pyridine)
CID 139043809
2-[2-[2-[(2-Hydroxyphenyl)methylideneamino]ethyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium
CID 139052349
Bis(2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate);iron(3+);tetrakis(oxygen(2-));bis(pyridine);uranium
CID 139052350
(4-Ethylpyridine)(N-salicylideneglycinato)copper(II) Tetramer
CID 139055536
bis(nickel(2+));bis(2-[[2-[(E)-(2-oxidophenyl)methylideneamino]-3-pyridinyl]iminomethyl]phenolate)
CID 139056067
Cobalt(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;bis(pyridine);tetraphenylboranuide
CID 139057499
bis[2-hydroxy-N'-(3-phenylprop-2-enylidene)benzohydrazidato-kappa^2^N,O]bis(pyridine-kappaN)nickel(II)
CID 139060428
Bis{2'-[1-(2-hydroxyphenyl)ethylidene]benzohydrazido}bis(pyridine-kappaN)zinc(II)
CID 139066729
Aqua(pyridine-kappaN)(N-salicylideneglycinato-kappa^3^N,O,O')copper(II)
CID 139068540
Bis[1,3-dihydroxy-2-hydroxymethyl-2-(salicylidimino)propane-kappa^3^N,O,O']nickel(II) pyridine solvate
CID 139070495

Frequently Asked Questions

What is the IUPAC name of bis(cobalt(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(pyridine);dinitrite?
The IUPAC name of bis(cobalt(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(pyridine);dinitrite (CID 139088711) is bis(cobalt(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(pyridine);dinitrite.
What is the SMILES notation for bis(cobalt(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(pyridine);dinitrite?
The canonical SMILES for bis(cobalt(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(pyridine);dinitrite is O=N[O-].O=N[O-].[Co+3].[Co+3].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].c1ccncc1.c1ccncc1.
What is the InChIKey of bis(cobalt(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(pyridine);dinitrite?
The InChIKey is YESANFOPHOHLJK-QCMKXXNMSA-H. The full InChI is InChI=1S/2C16H16N2O2.2C5H5N.2Co.2HNO2/c2*19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;2*1-2-4-6-5-3-1;;;2*2-1-3/h2*1-8,11-12,19-20H,9-10H2;2*1-5H;;;2*(H,2,3)/q;;;;2*+3;;/p-6/b2*17-11+,18-12+;;;;;;.
What are the key properties of bis(cobalt(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(pyridine);dinitrite?
bis(cobalt(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(pyridine);dinitrite has a molecular weight of 900.68 g/mol, XLogP of 5.40, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cobalt(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);bis(pyridine);dinitrite is sourced from PubChem (CID 139088711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).