bis(cobalt(2+));bis(2-ethoxy-6-[[4-[4-[(3-ethoxy-2-oxidophenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenolate)

C60H52Co2N4O10 — CID 139168001

IUPACbis(cobalt(2+));bis(2-ethoxy-6-[[4-[4-[(3-ethoxy-2-oxidophenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenolate)
SMILESCCOc1cccc(/C=N/c2ccc(Oc3ccc(/N=C/c4cccc(OCC)c4[O-])cc3)cc2)c1[O-].CCOc1cccc(/C=N/c2ccc(Oc3ccc(/N=C/c4cccc(OCC)c4[O-])cc3)cc2)c1[O-].[Co+2].[Co+2]
InChIInChI=1S/2C30H28N2O5.2Co/c2*1-3-35-27-9-5-7-21(29(27)33)19-31-23-11-15-25(16-12-23)37-26-17-13-24(14-18-26)32-20-22-8-6-10-28(30(22)34)36-4-2;;/h2*5-20,33-34H,3-4H2,1-2H3;;/q;;2*+2/p-4/b2*31-19+,32-20+;;
InChIKeyDLAZVOVHXQVWRV-YBKWXBMWSA-J
MW1106.96 g/mol
LogP11.84
Rot. Bonds20

About bis(cobalt(2+));bis(2-ethoxy-6-[[4-[4-[(3-ethoxy-2-oxidophenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenolate)

bis(cobalt(2+));bis(2-ethoxy-6-[[4-[4-[(3-ethoxy-2-oxidophenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenolate) (PubChem CID 139168001) has the molecular formula C60H52Co2N4O10 and a molecular weight of 1106.96 g/mol. Its IUPAC name is bis(cobalt(2+));bis(2-ethoxy-6-[[4-[4-[(3-ethoxy-2-oxidophenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenolate).

Molecular Properties

Compound Namebis(cobalt(2+));bis(2-ethoxy-6-[[4-[4-[(3-ethoxy-2-oxidophenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenolate)
PubChem CID139168001
Molecular FormulaC60H52Co2N4O10
Molecular Weight1106.96 g/mol
Exact Mass1106.23
IUPAC Namebis(cobalt(2+));bis(2-ethoxy-6-[[4-[4-[(3-ethoxy-2-oxidophenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenolate)
SMILESCCOc1cccc(/C=N/c2ccc(Oc3ccc(/N=C/c4cccc(OCC)c4[O-])cc3)cc2)c1[O-].CCOc1cccc(/C=N/c2ccc(Oc3ccc(/N=C/c4cccc(OCC)c4[O-])cc3)cc2)c1[O-].[Co+2].[Co+2]
InChIInChI=1S/2C30H28N2O5.2Co/c2*1-3-35-27-9-5-7-21(29(27)33)19-31-23-11-15-25(16-12-23)37-26-17-13-24(14-18-26)32-20-22-8-6-10-28(30(22)34)36-4-2;;/h2*5-20,33-34H,3-4H2,1-2H3;;/q;;2*+2/p-4/b2*31-19+,32-20+;;
InChIKeyDLAZVOVHXQVWRV-YBKWXBMWSA-J
XLogP11.84
TPSA197.06 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001106.96
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 693656
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
2-ethoxy-6-[(4-iodophenyl)iminomethyl]phenol
CID 135595177
1-(2-ethoxyphenyl)-N-phenylmethanimine
CID 961492
2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 135657449
sodium 2-ethoxy-6-formylphenolate
CID 102504150
3-[[4-[4-[(3-formyl-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-2-hydroxybenzaldehyde
CID 137256651
1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine
CID 3287327
2-[(4-anilinophenyl)iminomethyl]-6-ethoxyphenol
CID 135774329
1-(2,4-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 600803
2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol
CID 137256616
copper;2-ethoxy-6-[2-[(3-ethoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;terbium(3+);trinitrate
CID 139036889

Frequently Asked Questions

What is the IUPAC name of bis(cobalt(2+));bis(2-ethoxy-6-[[4-[4-[(3-ethoxy-2-oxidophenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenolate)?
The IUPAC name of bis(cobalt(2+));bis(2-ethoxy-6-[[4-[4-[(3-ethoxy-2-oxidophenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenolate) (CID 139168001) is bis(cobalt(2+));bis(2-ethoxy-6-[[4-[4-[(3-ethoxy-2-oxidophenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenolate).
What is the SMILES notation for bis(cobalt(2+));bis(2-ethoxy-6-[[4-[4-[(3-ethoxy-2-oxidophenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenolate)?
The canonical SMILES for bis(cobalt(2+));bis(2-ethoxy-6-[[4-[4-[(3-ethoxy-2-oxidophenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenolate) is CCOc1cccc(/C=N/c2ccc(Oc3ccc(/N=C/c4cccc(OCC)c4[O-])cc3)cc2)c1[O-].CCOc1cccc(/C=N/c2ccc(Oc3ccc(/N=C/c4cccc(OCC)c4[O-])cc3)cc2)c1[O-].[Co+2].[Co+2].
What is the InChIKey of bis(cobalt(2+));bis(2-ethoxy-6-[[4-[4-[(3-ethoxy-2-oxidophenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenolate)?
The InChIKey is DLAZVOVHXQVWRV-YBKWXBMWSA-J. The full InChI is InChI=1S/2C30H28N2O5.2Co/c2*1-3-35-27-9-5-7-21(29(27)33)19-31-23-11-15-25(16-12-23)37-26-17-13-24(14-18-26)32-20-22-8-6-10-28(30(22)34)36-4-2;;/h2*5-20,33-34H,3-4H2,1-2H3;;/q;;2*+2/p-4/b2*31-19+,32-20+;;.
What are the key properties of bis(cobalt(2+));bis(2-ethoxy-6-[[4-[4-[(3-ethoxy-2-oxidophenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenolate)?
bis(cobalt(2+));bis(2-ethoxy-6-[[4-[4-[(3-ethoxy-2-oxidophenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenolate) has a molecular weight of 1106.96 g/mol, XLogP of 11.84, 20 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cobalt(2+));bis(2-ethoxy-6-[[4-[4-[(3-ethoxy-2-oxidophenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenolate) is sourced from PubChem (CID 139168001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).