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

C37H28EuN2O2S — CID 20606813

IUPAC4,7-diphenyl-1,10-phenanthroline;europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone
SMILESCc1cc(C)c(O)c(C(=O)c2cccs2)c1.[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C24H16N2.C13H12O2S.Eu/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-8-6-9(2)12(14)10(7-8)13(15)11-4-3-5-16-11;/h1-16H;3-7,14H,1-2H3;
InChIKeyQHWKHZQIJZUPEM-UHFFFAOYSA-N
MW716.67 g/mol
LogP9.42
Rot. Bonds4

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

4,7-diphenyl-1,10-phenanthroline;europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone (PubChem CID 20606813) has the molecular formula C37H28EuN2O2S and a molecular weight of 716.67 g/mol. Its IUPAC name is 4,7-diphenyl-1,10-phenanthroline;europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name4,7-diphenyl-1,10-phenanthroline;europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone
PubChem CID20606813
Molecular FormulaC37H28EuN2O2S
Molecular Weight716.67 g/mol
Exact Mass717.11
IUPAC Name4,7-diphenyl-1,10-phenanthroline;europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone
SMILESCc1cc(C)c(O)c(C(=O)c2cccs2)c1.[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C24H16N2.C13H12O2S.Eu/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-8-6-9(2)12(14)10(7-8)13(15)11-4-3-5-16-11;/h1-16H;3-7,14H,1-2H3;
InChIKeyQHWKHZQIJZUPEM-UHFFFAOYSA-N
XLogP9.42
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.67
LogP ≤ 59.42
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

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
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
Carbanide;cerium;bis(4,7-diphenyl-1,10-phenanthroline);europium;tris((2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone);1,10-phenanthroline;bis(2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone)
CID 157454724
Carbanide;cerium;2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine;4,7-diphenyl-1,10-phenanthroline;europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;4-hydroxypent-3-en-2-one;bis(1,10-phenanthroline);terbium;tris(2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone)
CID 158002012
Carbanide;bis(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone;bis(1,10-phenanthroline);tris(2,2,2-trifluoro-1-(4-hydroxy-3-pyridinyl)ethanone)
CID 159197921

Frequently Asked Questions

What is the IUPAC name of 4,7-diphenyl-1,10-phenanthroline;europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone?
The IUPAC name of 4,7-diphenyl-1,10-phenanthroline;europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone (CID 20606813) is 4,7-diphenyl-1,10-phenanthroline;europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone.
What is the SMILES notation for 4,7-diphenyl-1,10-phenanthroline;europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone?
The canonical SMILES for 4,7-diphenyl-1,10-phenanthroline;europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone is Cc1cc(C)c(O)c(C(=O)c2cccs2)c1.[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of 4,7-diphenyl-1,10-phenanthroline;europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone?
The InChIKey is QHWKHZQIJZUPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2.C13H12O2S.Eu/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-8-6-9(2)12(14)10(7-8)13(15)11-4-3-5-16-11;/h1-16H;3-7,14H,1-2H3;.
What are the key properties of 4,7-diphenyl-1,10-phenanthroline;europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone?
4,7-diphenyl-1,10-phenanthroline;europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone has a molecular weight of 716.67 g/mol, XLogP of 9.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diphenyl-1,10-phenanthroline;europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 20606813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).