cobalt;bis(2-(phenyliminomethyl)phenol);bis(pyridine-2-carboxylic acid);bis(quinolin-8-ol)

C56H46Co3N6O8 — CID 161185608

IUPACcobalt;bis(2-(phenyliminomethyl)phenol);bis(pyridine-2-carboxylic acid);bis(quinolin-8-ol)
SMILESO=C(O)c1ccccn1.O=C(O)c1ccccn1.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1ccccc1/C=N/c1ccccc1.Oc1ccccc1/C=N/c1ccccc1.[Co].[Co].[Co]
InChIInChI=1S/2C13H11NO.2C9H7NO.2C6H5NO2.3Co/c2*15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12;2*11-8-5-1-3-7-4-2-6-10-9(7)8;2*8-6(9)5-3-1-2-4-7-5;;;/h2*1-10,15H;2*1-6,11H;2*1-4H,(H,8,9);;;/b2*14-10+;;;;;;;
InChIKeyMCJOKWYZBHFLLW-WQDBFJPSSA-N
MW1107.82 g/mol
LogP11.72
Rot. Bonds6

About cobalt;bis(2-(phenyliminomethyl)phenol);bis(pyridine-2-carboxylic acid);bis(quinolin-8-ol)

cobalt;bis(2-(phenyliminomethyl)phenol);bis(pyridine-2-carboxylic acid);bis(quinolin-8-ol) (PubChem CID 161185608) has the molecular formula C56H46Co3N6O8 and a molecular weight of 1107.82 g/mol. Its IUPAC name is cobalt;bis(2-(phenyliminomethyl)phenol);bis(pyridine-2-carboxylic acid);bis(quinolin-8-ol).

Molecular Properties

Compound Namecobalt;bis(2-(phenyliminomethyl)phenol);bis(pyridine-2-carboxylic acid);bis(quinolin-8-ol)
PubChem CID161185608
Molecular FormulaC56H46Co3N6O8
Molecular Weight1107.82 g/mol
Exact Mass1107.14
IUPAC Namecobalt;bis(2-(phenyliminomethyl)phenol);bis(pyridine-2-carboxylic acid);bis(quinolin-8-ol)
SMILESO=C(O)c1ccccn1.O=C(O)c1ccccn1.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1ccccc1/C=N/c1ccccc1.Oc1ccccc1/C=N/c1ccccc1.[Co].[Co].[Co]
InChIInChI=1S/2C13H11NO.2C9H7NO.2C6H5NO2.3Co/c2*15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12;2*11-8-5-1-3-7-4-2-6-10-9(7)8;2*8-6(9)5-3-1-2-4-7-5;;;/h2*1-10,15H;2*1-6,11H;2*1-4H,(H,8,9);;;/b2*14-10+;;;;;;;
InChIKeyMCJOKWYZBHFLLW-WQDBFJPSSA-N
XLogP11.72
TPSA231.80 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001107.82
LogP ≤ 511.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

Tetrakis(quinolin-8-olate);zirconium(4+)
CID 139195714
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum;bis(pyridine-2-carboxylic acid);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 157540889
2-(3,4-Diphenylbenzene-6-id-1-yl)-5-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(3-phenylbenzene-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum(2+);pyridine-2-carboxylic acid
CID 157715994
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);pentakis(iridium);2-phenylpyridine;pyridine-2-carboxylic acid;quinolin-8-ol;tris(3,4,5,6-tetrafluoropyridine-2-carboxylic acid);2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 160029366
(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;(Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one;(Z)-4-hydroxypent-3-en-2-one;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;2-(methyliminomethyl)phenol;(Z)-N-methyl-4-methyliminopent-2-en-2-amine;1-phenylisoquinoline;2-phenylpyridine;pyridine-2-carboxylic acid;quinolin-8-ol
CID 160377033
3,5-Diphenyl-2-phenylpyridine;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum;pyridine-2-carboxylic acid;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 161607375
Molybdenum 8-hydroxyquinolate
CID 129667672
Vanadium 8-hydroxyquinolinate
CID 129675749
Plutonium 8-hydroxyquinolinate
CID 129693351
Titanium 8-hydroxyquinolate
CID 129693695
Tungsten(VI) 8-hydroxy-quinolate
CID 129773018
Osmium(IV)-8-hydroxyquinolinate
CID 129846143

Frequently Asked Questions

What is the IUPAC name of cobalt;bis(2-(phenyliminomethyl)phenol);bis(pyridine-2-carboxylic acid);bis(quinolin-8-ol)?
The IUPAC name of cobalt;bis(2-(phenyliminomethyl)phenol);bis(pyridine-2-carboxylic acid);bis(quinolin-8-ol) (CID 161185608) is cobalt;bis(2-(phenyliminomethyl)phenol);bis(pyridine-2-carboxylic acid);bis(quinolin-8-ol).
What is the SMILES notation for cobalt;bis(2-(phenyliminomethyl)phenol);bis(pyridine-2-carboxylic acid);bis(quinolin-8-ol)?
The canonical SMILES for cobalt;bis(2-(phenyliminomethyl)phenol);bis(pyridine-2-carboxylic acid);bis(quinolin-8-ol) is O=C(O)c1ccccn1.O=C(O)c1ccccn1.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1ccccc1/C=N/c1ccccc1.Oc1ccccc1/C=N/c1ccccc1.[Co].[Co].[Co].
What is the InChIKey of cobalt;bis(2-(phenyliminomethyl)phenol);bis(pyridine-2-carboxylic acid);bis(quinolin-8-ol)?
The InChIKey is MCJOKWYZBHFLLW-WQDBFJPSSA-N. The full InChI is InChI=1S/2C13H11NO.2C9H7NO.2C6H5NO2.3Co/c2*15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12;2*11-8-5-1-3-7-4-2-6-10-9(7)8;2*8-6(9)5-3-1-2-4-7-5;;;/h2*1-10,15H;2*1-6,11H;2*1-4H,(H,8,9);;;/b2*14-10+;;;;;;;.
What are the key properties of cobalt;bis(2-(phenyliminomethyl)phenol);bis(pyridine-2-carboxylic acid);bis(quinolin-8-ol)?
cobalt;bis(2-(phenyliminomethyl)phenol);bis(pyridine-2-carboxylic acid);bis(quinolin-8-ol) has a molecular weight of 1107.82 g/mol, XLogP of 11.72, 6 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(2-(phenyliminomethyl)phenol);bis(pyridine-2-carboxylic acid);bis(quinolin-8-ol) is sourced from PubChem (CID 161185608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).