tetrakis(cobalt(2+));tetrakis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(1,10-phenanthroline)

C80H60Co4N8O8 — CID 139062343

IUPACtetrakis(cobalt(2+));tetrakis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(1,10-phenanthroline)
SMILES[Co+2].[Co+2].[Co+2].[Co+2].[O-]c1ccccc1/C=N/Cc1ccccc1[O-].[O-]c1ccccc1/C=N/Cc1ccccc1[O-].[O-]c1ccccc1/C=N/Cc1ccccc1[O-].[O-]c1ccccc1/C=N/Cc1ccccc1[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/4C14H13NO2.2C12H8N2.4Co/c4*16-13-7-3-1-5-11(13)9-15-10-12-6-2-4-8-14(12)17;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;/h4*1-9,16-17H,10H2;2*1-8H;;;;/q;;;;;;4*+2/p-8/b4*15-9+;;;;;;
InChIKeyLDDWCYCGAJIOAM-FWNDZOLCSA-F
MW1497.14 g/mol
LogP11.37
Rot. Bonds12

About tetrakis(cobalt(2+));tetrakis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(1,10-phenanthroline)

tetrakis(cobalt(2+));tetrakis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(1,10-phenanthroline) (PubChem CID 139062343) has the molecular formula C80H60Co4N8O8 and a molecular weight of 1497.14 g/mol. Its IUPAC name is tetrakis(cobalt(2+));tetrakis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(1,10-phenanthroline).

Molecular Properties

Compound Nametetrakis(cobalt(2+));tetrakis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(1,10-phenanthroline)
PubChem CID139062343
Molecular FormulaC80H60Co4N8O8
Molecular Weight1497.14 g/mol
Exact Mass1496.19
IUPAC Nametetrakis(cobalt(2+));tetrakis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(1,10-phenanthroline)
SMILES[Co+2].[Co+2].[Co+2].[Co+2].[O-]c1ccccc1/C=N/Cc1ccccc1[O-].[O-]c1ccccc1/C=N/Cc1ccccc1[O-].[O-]c1ccccc1/C=N/Cc1ccccc1[O-].[O-]c1ccccc1/C=N/Cc1ccccc1[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/4C14H13NO2.2C12H8N2.4Co/c4*16-13-7-3-1-5-11(13)9-15-10-12-6-2-4-8-14(12)17;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;/h4*1-9,16-17H,10H2;2*1-8H;;;;/q;;;;;;4*+2/p-8/b4*15-9+;;;;;;
InChIKeyLDDWCYCGAJIOAM-FWNDZOLCSA-F
XLogP11.37
TPSA285.48 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001497.14
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Tetrakis(4-methylphenolate);bis(1,10-phenanthroline);bis(platinum(2+))
CID 139044461
Tetracopper;methanol;tetrakis(2-[(quinolin-8-ylamino)methyl]phenolate);tetratetrafluoroborate
CID 139113990
Disilver bis(1,10-phenanthrolin-2-olate)
CID 139119603
Dicopper;bis((2,6-dimethylphenyl) phosphate);methanol;bis(1,10-phenanthroline)
CID 139126293
Tetrasilver;tetrakis(1,10-phenanthrolin-2-olate);hexahydrate
CID 139129371
Bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(1,10-phenanthroline)
CID 139165761
ZINC;2-[9-(2-oxidophenyl)-1,10-phenanthrolin-2-yl]phenolate;pyridine
CID 139167672
2-[[2-[(1R,2R)-1,2-bis(2-oxidophenyl)-2-[2-[(2-oxidophenyl)methylideneamino]phenyl]azanidylethyl]azanidylphenyl]iminomethyl]phenolate;cobalt(3+);pentakis(pyridine);uranium(3+)
CID 139171050
2-[[2-[(1R,2R)-1,2-bis(2-oxidophenyl)-2-[2-[(2-oxidophenyl)methylideneamino]phenyl]azanidylethyl]azanidylphenyl]iminomethyl]phenolate;nonakis(pyridine);bis(uranium(4+));diiodide
CID 139171053
(NE,Z)-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;oxygen(2-);1,10-phenanthroline;vanadium(4+)
CID 139177609
copper;(NE,Z)-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline
CID 139177738
Manganese(2+);tris(1,10-phenanthroline);bis(26,27,28-trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-25-olate)
CID 139196571

Frequently Asked Questions

What is the IUPAC name of tetrakis(cobalt(2+));tetrakis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(1,10-phenanthroline)?
The IUPAC name of tetrakis(cobalt(2+));tetrakis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(1,10-phenanthroline) (CID 139062343) is tetrakis(cobalt(2+));tetrakis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(1,10-phenanthroline).
What is the SMILES notation for tetrakis(cobalt(2+));tetrakis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(1,10-phenanthroline)?
The canonical SMILES for tetrakis(cobalt(2+));tetrakis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(1,10-phenanthroline) is [Co+2].[Co+2].[Co+2].[Co+2].[O-]c1ccccc1/C=N/Cc1ccccc1[O-].[O-]c1ccccc1/C=N/Cc1ccccc1[O-].[O-]c1ccccc1/C=N/Cc1ccccc1[O-].[O-]c1ccccc1/C=N/Cc1ccccc1[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of tetrakis(cobalt(2+));tetrakis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(1,10-phenanthroline)?
The InChIKey is LDDWCYCGAJIOAM-FWNDZOLCSA-F. The full InChI is InChI=1S/4C14H13NO2.2C12H8N2.4Co/c4*16-13-7-3-1-5-11(13)9-15-10-12-6-2-4-8-14(12)17;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;/h4*1-9,16-17H,10H2;2*1-8H;;;;/q;;;;;;4*+2/p-8/b4*15-9+;;;;;;.
What are the key properties of tetrakis(cobalt(2+));tetrakis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(1,10-phenanthroline)?
tetrakis(cobalt(2+));tetrakis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(1,10-phenanthroline) has a molecular weight of 1497.14 g/mol, XLogP of 11.37, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(cobalt(2+));tetrakis(2-[[(2-oxidophenyl)methylideneamino]methyl]phenolate);bis(1,10-phenanthroline) is sourced from PubChem (CID 139062343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).