4,7-diphenyl-1,10-phenanthroline;europium;(Z)-4,4,4-trifluoro-1-thiophen-2-ylbut-1-ene-1,3-diol

C32H23EuF3N2O2S — CID 59595484

IUPAC4,7-diphenyl-1,10-phenanthroline;europium;(Z)-4,4,4-trifluoro-1-thiophen-2-ylbut-1-ene-1,3-diol
SMILESO/C(=C\C(O)C(F)(F)F)c1cccs1.[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C24H16N2.C8H7F3O2S.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;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h1-16H;1-4,7,12-13H;/b;5-4-;
InChIKeyHIEAKGQMOXOHPC-FXHNQCOHSA-N
MW708.57 g/mol
LogP8.69
Rot. Bonds4

About 4,7-diphenyl-1,10-phenanthroline;europium;(Z)-4,4,4-trifluoro-1-thiophen-2-ylbut-1-ene-1,3-diol

4,7-diphenyl-1,10-phenanthroline;europium;(Z)-4,4,4-trifluoro-1-thiophen-2-ylbut-1-ene-1,3-diol (PubChem CID 59595484) has the molecular formula C32H23EuF3N2O2S and a molecular weight of 708.57 g/mol. Its IUPAC name is 4,7-diphenyl-1,10-phenanthroline;europium;(Z)-4,4,4-trifluoro-1-thiophen-2-ylbut-1-ene-1,3-diol.

Molecular Properties

Compound Name4,7-diphenyl-1,10-phenanthroline;europium;(Z)-4,4,4-trifluoro-1-thiophen-2-ylbut-1-ene-1,3-diol
PubChem CID59595484
Molecular FormulaC32H23EuF3N2O2S
Molecular Weight708.57 g/mol
Exact Mass709.06
IUPAC Name4,7-diphenyl-1,10-phenanthroline;europium;(Z)-4,4,4-trifluoro-1-thiophen-2-ylbut-1-ene-1,3-diol
SMILESO/C(=C\C(O)C(F)(F)F)c1cccs1.[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C24H16N2.C8H7F3O2S.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;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h1-16H;1-4,7,12-13H;/b;5-4-;
InChIKeyHIEAKGQMOXOHPC-FXHNQCOHSA-N
XLogP8.69
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.57
LogP ≤ 58.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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1-(5-Fluorobenzo[b]thiophen-3-yl)-3-(4-(quinolin-8-yl)piperazin-1-yl)propan-1-ol
CID 10112935
1-Benzo[b]thiophen-3-yl-3-(4-quinolin-6-yl-piperazin-1-yl)-propan-1-ol
CID 10179327
1-(1-Benzothiophen-3-yl)-3-[4-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-ol
CID 10873456
1-(5-Fluoro-1-benzothiophen-3-yl)-3-[4-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-ol
CID 10895387
1-Benzo[b]thiophen-3-yl-3-(4-quinolin-3-yl-piperazin-1-yl)-propan-1-ol
CID 10916460
Eu(TTA)3phen
CID 72479493
(1,10-PHENANTHROLINE)TRIS[4,4,4-TRIFLUORO-1-(2-THIENYL)-1,3-BUTANEDIONATO]EUROPIUM(III),98.0per cent
CID 15369070
europium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one
CID 20606805
europium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-methanidyloxy-4-thiophen-2-ylbut-3-en-2-one
CID 57553294
Disodium;europium;[7-(sulfonatomethyl)-1,10-phenanthrolin-4-yl]methanesulfonate;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
CID 58667399
Trisodium;europium;5-sulfinatooxy-2-[7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
CID 58667402

Frequently Asked Questions

What is the IUPAC name of 4,7-diphenyl-1,10-phenanthroline;europium;(Z)-4,4,4-trifluoro-1-thiophen-2-ylbut-1-ene-1,3-diol?
The IUPAC name of 4,7-diphenyl-1,10-phenanthroline;europium;(Z)-4,4,4-trifluoro-1-thiophen-2-ylbut-1-ene-1,3-diol (CID 59595484) is 4,7-diphenyl-1,10-phenanthroline;europium;(Z)-4,4,4-trifluoro-1-thiophen-2-ylbut-1-ene-1,3-diol.
What is the SMILES notation for 4,7-diphenyl-1,10-phenanthroline;europium;(Z)-4,4,4-trifluoro-1-thiophen-2-ylbut-1-ene-1,3-diol?
The canonical SMILES for 4,7-diphenyl-1,10-phenanthroline;europium;(Z)-4,4,4-trifluoro-1-thiophen-2-ylbut-1-ene-1,3-diol is O/C(=C\C(O)C(F)(F)F)c1cccs1.[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of 4,7-diphenyl-1,10-phenanthroline;europium;(Z)-4,4,4-trifluoro-1-thiophen-2-ylbut-1-ene-1,3-diol?
The InChIKey is HIEAKGQMOXOHPC-FXHNQCOHSA-N. The full InChI is InChI=1S/C24H16N2.C8H7F3O2S.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;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h1-16H;1-4,7,12-13H;/b;5-4-;.
What are the key properties of 4,7-diphenyl-1,10-phenanthroline;europium;(Z)-4,4,4-trifluoro-1-thiophen-2-ylbut-1-ene-1,3-diol?
4,7-diphenyl-1,10-phenanthroline;europium;(Z)-4,4,4-trifluoro-1-thiophen-2-ylbut-1-ene-1,3-diol has a molecular weight of 708.57 g/mol, XLogP of 8.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diphenyl-1,10-phenanthroline;europium;(Z)-4,4,4-trifluoro-1-thiophen-2-ylbut-1-ene-1,3-diol is sourced from PubChem (CID 59595484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).