chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate

C40H34Cr2N4O5 — CID 139236258

IUPACchromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
SMILESO.Oc1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1O.Oc1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1O.[Cr].[Cr]
InChIInChI=1S/2C20H16N2O2.2Cr.H2O/c2*23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;;;/h2*1-14,23-24H;;;1H2/b2*21-13+,22-14+;;;
InChIKeyHFXSONFHTQUERZ-SKCUSQGPSA-N
MW754.73 g/mol
LogP8.37
Rot. Bonds8

About chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate

chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate (PubChem CID 139236258) has the molecular formula C40H34Cr2N4O5 and a molecular weight of 754.73 g/mol. Its IUPAC name is chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate.

Molecular Properties

Compound Namechromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
PubChem CID139236258
Molecular FormulaC40H34Cr2N4O5
Molecular Weight754.73 g/mol
Exact Mass754.13
IUPAC Namechromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
SMILESO.Oc1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1O.Oc1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1O.[Cr].[Cr]
InChIInChI=1S/2C20H16N2O2.2Cr.H2O/c2*23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;;;/h2*1-14,23-24H;;;1H2/b2*21-13+,22-14+;;;
InChIKeyHFXSONFHTQUERZ-SKCUSQGPSA-N
XLogP8.37
TPSA161.86 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.73
LogP ≤ 58.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;vanadium;hydrate
CID 171376264
copper 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534570
zinc 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534569
3-[[2-[(5-cyano-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]-4-hydroxybenzonitrile
CID 137086335
2-[[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]phenyl]iminomethyl]phenol
CID 3742462
2-[(2-hydroxyphenyl)methylideneamino]-6-phenylphenol
CID 136888505
2-[(2-methylsulfanylphenyl)iminomethyl]phenol;titanium(3+);trichloride
CID 175288392
2-[(E)-fluoroiminomethyl]phenol
CID 137273576
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
3-[(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylphenol
CID 136617930
2-[(2-methylphenyl)methylideneamino]phenol
CID 11009223
2-[(2-fluorophenyl)methylideneamino]phenol
CID 677307

Frequently Asked Questions

What is the IUPAC name of chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate?
The IUPAC name of chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate (CID 139236258) is chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate.
What is the SMILES notation for chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate?
The canonical SMILES for chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate is O.Oc1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1O.Oc1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1O.[Cr].[Cr].
What is the InChIKey of chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate?
The InChIKey is HFXSONFHTQUERZ-SKCUSQGPSA-N. The full InChI is InChI=1S/2C20H16N2O2.2Cr.H2O/c2*23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;;;/h2*1-14,23-24H;;;1H2/b2*21-13+,22-14+;;;.
What are the key properties of chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate?
chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate has a molecular weight of 754.73 g/mol, XLogP of 8.37, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate is sourced from PubChem (CID 139236258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).