tris(2-formylphenolate);1,10-phenanthroline;samarium(3+)

C33H23N2O6Sm — CID 139085827

IUPACtris(2-formylphenolate);1,10-phenanthroline;samarium(3+)
SMILESO=Cc1ccccc1[O-].O=Cc1ccccc1[O-].O=Cc1ccccc1[O-].[Sm+3].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.3C7H6O2.Sm/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*8-5-6-3-1-2-4-7(6)9;/h1-8H;3*1-5,9H;/q;;;;+3/p-3
InChIKeyDYSXWEWFGXORMQ-UHFFFAOYSA-K
MW693.92 g/mol
LogP4.50
Rot. Bonds3

About tris(2-formylphenolate);1,10-phenanthroline;samarium(3+)

tris(2-formylphenolate);1,10-phenanthroline;samarium(3+) (PubChem CID 139085827) has the molecular formula C33H23N2O6Sm and a molecular weight of 693.92 g/mol. Its IUPAC name is tris(2-formylphenolate);1,10-phenanthroline;samarium(3+).

Molecular Properties

Compound Nametris(2-formylphenolate);1,10-phenanthroline;samarium(3+)
PubChem CID139085827
Molecular FormulaC33H23N2O6Sm
Molecular Weight693.92 g/mol
Exact Mass695.08
IUPAC Nametris(2-formylphenolate);1,10-phenanthroline;samarium(3+)
SMILESO=Cc1ccccc1[O-].O=Cc1ccccc1[O-].O=Cc1ccccc1[O-].[Sm+3].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.3C7H6O2.Sm/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*8-5-6-3-1-2-4-7(6)9;/h1-8H;3*1-5,9H;/q;;;;+3/p-3
InChIKeyDYSXWEWFGXORMQ-UHFFFAOYSA-K
XLogP4.50
TPSA146.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500693.92
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(2-hydroxyphenyl)-3-phenyl-prop-2-en-1-one; 1,10-phenanthroline; ruthenium(2+); hexafluorophosphate
CID 6481871
(E)-1-(2-hydroxyphenyl)-3-[4-[(E)-3-(2-hydroxyphenyl)-3-oxo-prop-1-enyl]phenyl]prop-2-en-1-one; 1,10-phenanthroline; ruthenium(2+); dihexafluorophosphate
CID 11980896
dysprosium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(4-methoxyphenyl)-4-oxobut-2-en-2-olate)
CID 139205035
1-(3,5-Difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;europium;1,10-phenanthroline
CID 20606756
Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxynaphthalen-2-yl)ethanone
CID 20606762
4,7-Diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxynaphthalen-2-yl)ethanone
CID 20606785
1-(3,5-Difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;4,7-diphenyl-1,10-phenanthroline;europium
CID 20606788
4,7-Diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone
CID 20606814
Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone
CID 20606815
Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxyanthracen-2-yl)ethanone
CID 20798406
4,7-Diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxyanthracen-2-yl)ethanone
CID 20798408
Tris(dibenzoylmethane)phenanthroline europium(III)
CID 156619803

Frequently Asked Questions

What is the IUPAC name of tris(2-formylphenolate);1,10-phenanthroline;samarium(3+)?
The IUPAC name of tris(2-formylphenolate);1,10-phenanthroline;samarium(3+) (CID 139085827) is tris(2-formylphenolate);1,10-phenanthroline;samarium(3+).
What is the SMILES notation for tris(2-formylphenolate);1,10-phenanthroline;samarium(3+)?
The canonical SMILES for tris(2-formylphenolate);1,10-phenanthroline;samarium(3+) is O=Cc1ccccc1[O-].O=Cc1ccccc1[O-].O=Cc1ccccc1[O-].[Sm+3].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of tris(2-formylphenolate);1,10-phenanthroline;samarium(3+)?
The InChIKey is DYSXWEWFGXORMQ-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H8N2.3C7H6O2.Sm/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*8-5-6-3-1-2-4-7(6)9;/h1-8H;3*1-5,9H;/q;;;;+3/p-3.
What are the key properties of tris(2-formylphenolate);1,10-phenanthroline;samarium(3+)?
tris(2-formylphenolate);1,10-phenanthroline;samarium(3+) has a molecular weight of 693.92 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-formylphenolate);1,10-phenanthroline;samarium(3+) is sourced from PubChem (CID 139085827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).