bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol

C34H40Fe2N4O6 — CID 135440481

IUPACbis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
SMILESCO.CO.Oc1ccccc1/C=N/CC/N=C/c1ccccc1O.Oc1ccccc1/C=N/CC/N=C/c1ccccc1O.[Fe].[Fe]
InChIInChI=1S/2C16H16N2O2.2CH4O.2Fe/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;;/h2*1-8,11-12,19-20H,9-10H2;2*2H,1H3;;/b2*17-11+,18-12+;;;;
InChIKeyLXGRADWCDXNQAB-IGKNZCCUSA-N
MW712.41 g/mol
LogP4.48
Rot. Bonds10

About bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol

bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol (PubChem CID 135440481) has the molecular formula C34H40Fe2N4O6 and a molecular weight of 712.41 g/mol. Its IUPAC name is bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol.

Molecular Properties

Compound Namebis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
PubChem CID135440481
Molecular FormulaC34H40Fe2N4O6
Molecular Weight712.41 g/mol
Exact Mass712.16
IUPAC Namebis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
SMILESCO.CO.Oc1ccccc1/C=N/CC/N=C/c1ccccc1O.Oc1ccccc1/C=N/CC/N=C/c1ccccc1O.[Fe].[Fe]
InChIInChI=1S/2C16H16N2O2.2CH4O.2Fe/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;;/h2*1-8,11-12,19-20H,9-10H2;2*2H,1H3;;/b2*17-11+,18-12+;;;;
InChIKeyLXGRADWCDXNQAB-IGKNZCCUSA-N
XLogP4.48
TPSA170.82 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.41
LogP ≤ 54.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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'}

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Related Compounds

2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
sodium;cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135544422
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxovanadium(2+)
CID 158910145
oxovanadium;bis(2-(propyliminomethyl)phenol)
CID 5242411
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate
CID 135406501
2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol
CID 136763146
cobalt;tris(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);2-[3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol;iron;hydrate
CID 162275151
bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]azanide;copper(1+)
CID 135987878
dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
CID 135852922

Frequently Asked Questions

What is the IUPAC name of bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol?
The IUPAC name of bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol (CID 135440481) is bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol.
What is the SMILES notation for bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol?
The canonical SMILES for bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol is CO.CO.Oc1ccccc1/C=N/CC/N=C/c1ccccc1O.Oc1ccccc1/C=N/CC/N=C/c1ccccc1O.[Fe].[Fe].
What is the InChIKey of bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol?
The InChIKey is LXGRADWCDXNQAB-IGKNZCCUSA-N. The full InChI is InChI=1S/2C16H16N2O2.2CH4O.2Fe/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;;/h2*1-8,11-12,19-20H,9-10H2;2*2H,1H3;;/b2*17-11+,18-12+;;;;.
What are the key properties of bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol?
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol has a molecular weight of 712.41 g/mol, XLogP of 4.48, 10 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol is sourced from PubChem (CID 135440481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).