europium;1,10-phenanthroline;4,4,4-trifluoro-2,2-bis(thiophene-2-carbonyl)-1-thiophen-2-ylbutane-1,3-dione

C30H17EuF3N2O4S3 — CID 87772755

IUPACeuropium;1,10-phenanthroline;4,4,4-trifluoro-2,2-bis(thiophene-2-carbonyl)-1-thiophen-2-ylbutane-1,3-dione
SMILESO=C(c1cccs1)C(C(=O)c1cccs1)(C(=O)c1cccs1)C(=O)C(F)(F)F.[Eu].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C18H9F3O4S3.C12H8N2.Eu/c19-18(20,21)16(25)17(13(22)10-4-1-7-26-10,14(23)11-5-2-8-27-11)15(24)12-6-3-9-28-12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-9H;1-8H;
InChIKeyJSWYKDZKFVQCOE-UHFFFAOYSA-N
MW774.64 g/mol
LogP7.72
Rot. Bonds7

About europium;1,10-phenanthroline;4,4,4-trifluoro-2,2-bis(thiophene-2-carbonyl)-1-thiophen-2-ylbutane-1,3-dione

europium;1,10-phenanthroline;4,4,4-trifluoro-2,2-bis(thiophene-2-carbonyl)-1-thiophen-2-ylbutane-1,3-dione (PubChem CID 87772755) has the molecular formula C30H17EuF3N2O4S3 and a molecular weight of 774.64 g/mol. Its IUPAC name is europium;1,10-phenanthroline;4,4,4-trifluoro-2,2-bis(thiophene-2-carbonyl)-1-thiophen-2-ylbutane-1,3-dione.

Molecular Properties

Compound Nameeuropium;1,10-phenanthroline;4,4,4-trifluoro-2,2-bis(thiophene-2-carbonyl)-1-thiophen-2-ylbutane-1,3-dione
PubChem CID87772755
Molecular FormulaC30H17EuF3N2O4S3
Molecular Weight774.64 g/mol
Exact Mass774.95
IUPAC Nameeuropium;1,10-phenanthroline;4,4,4-trifluoro-2,2-bis(thiophene-2-carbonyl)-1-thiophen-2-ylbutane-1,3-dione
SMILESO=C(c1cccs1)C(C(=O)c1cccs1)(C(=O)c1cccs1)C(=O)C(F)(F)F.[Eu].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C18H9F3O4S3.C12H8N2.Eu/c19-18(20,21)16(25)17(13(22)10-4-1-7-26-10,14(23)11-5-2-8-27-11)15(24)12-6-3-9-28-12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-9H;1-8H;
InChIKeyJSWYKDZKFVQCOE-UHFFFAOYSA-N
XLogP7.72
TPSA94.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.64
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of europium;1,10-phenanthroline;4,4,4-trifluoro-2,2-bis(thiophene-2-carbonyl)-1-thiophen-2-ylbutane-1,3-dione?
The IUPAC name of europium;1,10-phenanthroline;4,4,4-trifluoro-2,2-bis(thiophene-2-carbonyl)-1-thiophen-2-ylbutane-1,3-dione (CID 87772755) is europium;1,10-phenanthroline;4,4,4-trifluoro-2,2-bis(thiophene-2-carbonyl)-1-thiophen-2-ylbutane-1,3-dione.
What is the SMILES notation for europium;1,10-phenanthroline;4,4,4-trifluoro-2,2-bis(thiophene-2-carbonyl)-1-thiophen-2-ylbutane-1,3-dione?
The canonical SMILES for europium;1,10-phenanthroline;4,4,4-trifluoro-2,2-bis(thiophene-2-carbonyl)-1-thiophen-2-ylbutane-1,3-dione is O=C(c1cccs1)C(C(=O)c1cccs1)(C(=O)c1cccs1)C(=O)C(F)(F)F.[Eu].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of europium;1,10-phenanthroline;4,4,4-trifluoro-2,2-bis(thiophene-2-carbonyl)-1-thiophen-2-ylbutane-1,3-dione?
The InChIKey is JSWYKDZKFVQCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F3O4S3.C12H8N2.Eu/c19-18(20,21)16(25)17(13(22)10-4-1-7-26-10,14(23)11-5-2-8-27-11)15(24)12-6-3-9-28-12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-9H;1-8H;.
What are the key properties of europium;1,10-phenanthroline;4,4,4-trifluoro-2,2-bis(thiophene-2-carbonyl)-1-thiophen-2-ylbutane-1,3-dione?
europium;1,10-phenanthroline;4,4,4-trifluoro-2,2-bis(thiophene-2-carbonyl)-1-thiophen-2-ylbutane-1,3-dione has a molecular weight of 774.64 g/mol, XLogP of 7.72, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for europium;1,10-phenanthroline;4,4,4-trifluoro-2,2-bis(thiophene-2-carbonyl)-1-thiophen-2-ylbutane-1,3-dione is sourced from PubChem (CID 87772755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).