potassium;holmium(3+);bis(2-[[(1R,2R)-2-[(2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate)

C56H44HoKN4O4 — CID 139247890

IUPACpotassium;holmium(3+);bis(2-[[(1R,2R)-2-[(2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate)
SMILES[Ho+3].[K+].[O-]c1ccccc1/C=N/[C@H](c1ccccc1)[C@H](/N=C/c1ccccc1[O-])c1ccccc1.[O-]c1ccccc1/C=N/[C@H](c1ccccc1)[C@H](/N=C/c1ccccc1[O-])c1ccccc1
InChIInChI=1S/2C28H24N2O2.Ho.K/c2*31-25-17-9-7-15-23(25)19-29-27(21-11-3-1-4-12-21)28(22-13-5-2-6-14-22)30-20-24-16-8-10-18-26(24)32;;/h2*1-20,27-28,31-32H;;/q;;+3;+1/p-4/b2*29-19+,30-20+;;/t2*27-,28-;;/m11../s1
InChIKeyVOFPEGYEBHBKMG-RPZAVLJGSA-J
MW1041.02 g/mol
LogP6.71
Rot. Bonds14

About potassium;holmium(3+);bis(2-[[(1R,2R)-2-[(2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate)

potassium;holmium(3+);bis(2-[[(1R,2R)-2-[(2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate) (PubChem CID 139247890) has the molecular formula C56H44HoKN4O4 and a molecular weight of 1041.02 g/mol. Its IUPAC name is potassium;holmium(3+);bis(2-[[(1R,2R)-2-[(2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate).

Molecular Properties

Compound Namepotassium;holmium(3+);bis(2-[[(1R,2R)-2-[(2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate)
PubChem CID139247890
Molecular FormulaC56H44HoKN4O4
Molecular Weight1041.02 g/mol
Exact Mass1040.23
IUPAC Namepotassium;holmium(3+);bis(2-[[(1R,2R)-2-[(2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate)
SMILES[Ho+3].[K+].[O-]c1ccccc1/C=N/[C@H](c1ccccc1)[C@H](/N=C/c1ccccc1[O-])c1ccccc1.[O-]c1ccccc1/C=N/[C@H](c1ccccc1)[C@H](/N=C/c1ccccc1[O-])c1ccccc1
InChIInChI=1S/2C28H24N2O2.Ho.K/c2*31-25-17-9-7-15-23(25)19-29-27(21-11-3-1-4-12-21)28(22-13-5-2-6-14-22)30-20-24-16-8-10-18-26(24)32;;/h2*1-20,27-28,31-32H;;/q;;+3;+1/p-4/b2*29-19+,30-20+;;/t2*27-,28-;;/m11../s1
InChIKeyVOFPEGYEBHBKMG-RPZAVLJGSA-J
XLogP6.71
TPSA141.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.02
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(2-diphenylphosphanylphenyl)-N-[(2R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,2-diphenylethyl]methanimine
CID 59365608
cobalt(2+);tris(cobalt(3+));hexakis(2-[[(1R)-2-oxido-1-phenylethyl]iminomethyl]phenolate);triethylazanium
CID 139143054
2-tert-butyl-6-[[(1S,2R)-2-[(3-tert-butyl-2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate;oxygen(2-);vanadium(4+)
CID 139057710
2-chloro-6-[[(1S,2S)-2-[(3-chloro-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol
CID 139203856
2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol
CID 154704907
2-[[(1S,2R)-1,2-bis(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol;cobalt
CID 135514483
2-[[(1S,2S)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]-4-methylphenol
CID 136866110
nickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate
CID 58725494
bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+)
CID 139115041
copper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate
CID 139055616
potassium;chloroplatinum(1+);(2S)-3-hydroxy-2-[(2-oxidophenyl)methylideneamino]propanoate
CID 57341342
zinc bis(2-[[(1R)-1-(4-methoxyphenyl)ethyl]iminomethyl]phenolate)
CID 139136381

Frequently Asked Questions

What is the IUPAC name of potassium;holmium(3+);bis(2-[[(1R,2R)-2-[(2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate)?
The IUPAC name of potassium;holmium(3+);bis(2-[[(1R,2R)-2-[(2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate) (CID 139247890) is potassium;holmium(3+);bis(2-[[(1R,2R)-2-[(2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate).
What is the SMILES notation for potassium;holmium(3+);bis(2-[[(1R,2R)-2-[(2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate)?
The canonical SMILES for potassium;holmium(3+);bis(2-[[(1R,2R)-2-[(2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate) is [Ho+3].[K+].[O-]c1ccccc1/C=N/[C@H](c1ccccc1)[C@H](/N=C/c1ccccc1[O-])c1ccccc1.[O-]c1ccccc1/C=N/[C@H](c1ccccc1)[C@H](/N=C/c1ccccc1[O-])c1ccccc1.
What is the InChIKey of potassium;holmium(3+);bis(2-[[(1R,2R)-2-[(2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate)?
The InChIKey is VOFPEGYEBHBKMG-RPZAVLJGSA-J. The full InChI is InChI=1S/2C28H24N2O2.Ho.K/c2*31-25-17-9-7-15-23(25)19-29-27(21-11-3-1-4-12-21)28(22-13-5-2-6-14-22)30-20-24-16-8-10-18-26(24)32;;/h2*1-20,27-28,31-32H;;/q;;+3;+1/p-4/b2*29-19+,30-20+;;/t2*27-,28-;;/m11../s1.
What are the key properties of potassium;holmium(3+);bis(2-[[(1R,2R)-2-[(2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate)?
potassium;holmium(3+);bis(2-[[(1R,2R)-2-[(2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate) has a molecular weight of 1041.02 g/mol, XLogP of 6.71, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;holmium(3+);bis(2-[[(1R,2R)-2-[(2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate) is sourced from PubChem (CID 139247890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).