europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;4-methyl-7-phenyl-1,10-phenanthroline

C32H26EuN2O2S — CID 59641506

IUPACeuropium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;4-methyl-7-phenyl-1,10-phenanthroline
SMILESCc1cc(C)c(O)c(C(=O)c2cccs2)c1.Cc1ccnc2c1ccc1c(-c3ccccc3)ccnc12.[Eu]
InChIInChI=1S/C19H14N2.C13H12O2S.Eu/c1-13-9-11-20-18-15(13)7-8-17-16(10-12-21-19(17)18)14-5-3-2-4-6-14;1-8-6-9(2)12(14)10(7-8)13(15)11-4-3-5-16-11;/h2-12H,1H3;3-7,14H,1-2H3;
InChIKeyVNGKMQOFPVLKSV-UHFFFAOYSA-N
MW654.60 g/mol
LogP8.06
Rot. Bonds3

About europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;4-methyl-7-phenyl-1,10-phenanthroline

europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;4-methyl-7-phenyl-1,10-phenanthroline (PubChem CID 59641506) has the molecular formula C32H26EuN2O2S and a molecular weight of 654.60 g/mol. Its IUPAC name is europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;4-methyl-7-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Nameeuropium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;4-methyl-7-phenyl-1,10-phenanthroline
PubChem CID59641506
Molecular FormulaC32H26EuN2O2S
Molecular Weight654.60 g/mol
Exact Mass655.09
IUPAC Nameeuropium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;4-methyl-7-phenyl-1,10-phenanthroline
SMILESCc1cc(C)c(O)c(C(=O)c2cccs2)c1.Cc1ccnc2c1ccc1c(-c3ccccc3)ccnc12.[Eu]
InChIInChI=1S/C19H14N2.C13H12O2S.Eu/c1-13-9-11-20-18-15(13)7-8-17-16(10-12-21-19(17)18)14-5-3-2-4-6-14;1-8-6-9(2)12(14)10(7-8)13(15)11-4-3-5-16-11;/h2-12H,1H3;3-7,14H,1-2H3;
InChIKeyVNGKMQOFPVLKSV-UHFFFAOYSA-N
XLogP8.06
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.60
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
Europium;4-[7-[4-(hydroxymethoxy)phenyl]-1,10-phenanthrolin-4-yl]benzoic acid;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
CID 58667411
4,7-diphenyl-1,10-phenanthroline;europium;(Z)-4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one
CID 136149247
5-[7-(3-Carboxy-4-hydroxyphenyl)-1,10-phenanthrolin-4-yl]-2-hydroxybenzoic acid;europium;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
CID 136154375
Carbanide;cerium;4,7-diphenyl-1,10-phenanthroline;europium;bis((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);4-methyl-7-phenyl-1,10-phenanthroline;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone)
CID 157448844

Frequently Asked Questions

What is the IUPAC name of europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;4-methyl-7-phenyl-1,10-phenanthroline?
The IUPAC name of europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;4-methyl-7-phenyl-1,10-phenanthroline (CID 59641506) is europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;4-methyl-7-phenyl-1,10-phenanthroline.
What is the SMILES notation for europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;4-methyl-7-phenyl-1,10-phenanthroline?
The canonical SMILES for europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;4-methyl-7-phenyl-1,10-phenanthroline is Cc1cc(C)c(O)c(C(=O)c2cccs2)c1.Cc1ccnc2c1ccc1c(-c3ccccc3)ccnc12.[Eu].
What is the InChIKey of europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;4-methyl-7-phenyl-1,10-phenanthroline?
The InChIKey is VNGKMQOFPVLKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2.C13H12O2S.Eu/c1-13-9-11-20-18-15(13)7-8-17-16(10-12-21-19(17)18)14-5-3-2-4-6-14;1-8-6-9(2)12(14)10(7-8)13(15)11-4-3-5-16-11;/h2-12H,1H3;3-7,14H,1-2H3;.
What are the key properties of europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;4-methyl-7-phenyl-1,10-phenanthroline?
europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;4-methyl-7-phenyl-1,10-phenanthroline has a molecular weight of 654.60 g/mol, XLogP of 8.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;4-methyl-7-phenyl-1,10-phenanthroline is sourced from PubChem (CID 59641506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).