3,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,10-phenanthroline;europium(3+);tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)

C69H49EuN2O10S2 — CID 139116889

About 3,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,10-phenanthroline;europium(3+);tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)

3,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,10-phenanthroline;europium(3+);tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) (PubChem CID 139116889) has the molecular formula C69H49EuN2O10S2 and a molecular weight of 1282.25 g/mol. Its IUPAC name is 3,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,10-phenanthroline;europium(3+);tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate).

Molecular Properties

• Compound Name: 3,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,10-phenanthroline;europium(3+);tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)
• PubChem CID: 139116889
• Molecular Formula: C69H49EuN2O10S2
• Molecular Weight: 1282.25 g/mol
• Exact Mass: 1282.20
• IUPAC Name: 3,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,10-phenanthroline;europium(3+);tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)
• SMILES: O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[Eu+3].c1nc2c(ccc3cc(-c4scc5c4OCCO5)cnc32)cc1-c1scc2c1OCCO2
• InChI: InChI=1S/C24H16N2O4S2.3C15H12O2.Eu/c1-2-14-8-16(24-22-18(12-32-24)28-4-6-30-22)10-26-20(14)19-13(1)7-15(9-25-19)23-21-17(11-31-23)27-3-5-29-21;3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h1-2,7-12H,3-6H2;3*1-11,16H;/q;;;;+3/p-3/b;3*14-11-
• InChIKey: QNOPKSDDDIFAAK-JMCFEFIPSA-K
• XLogP: 12.59
• TPSA: 183.09 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1282.25
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,10-phenanthroline;europium(3+);tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)?

The IUPAC name of 3,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,10-phenanthroline;europium(3+);tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) (CID 139116889) is 3,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,10-phenanthroline;europium(3+);tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate).

What is the SMILES notation for 3,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,10-phenanthroline;europium(3+);tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)?

The canonical SMILES for 3,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,10-phenanthroline;europium(3+);tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) is O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[Eu+3].c1nc2c(ccc3cc(-c4scc5c4OCCO5)cnc32)cc1-c1scc2c1OCCO2.

What is the InChIKey of 3,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,10-phenanthroline;europium(3+);tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)?

The InChIKey is QNOPKSDDDIFAAK-JMCFEFIPSA-K. The full InChI is InChI=1S/C24H16N2O4S2.3C15H12O2.Eu/c1-2-14-8-16(24-22-18(12-32-24)28-4-6-30-22)10-26-20(14)19-13(1)7-15(9-25-19)23-21-17(11-31-23)27-3-5-29-21;3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h1-2,7-12H,3-6H2;3*1-11,16H;/q;;;;+3/p-3/b;3*14-11-;.

What are the key properties of 3,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,10-phenanthroline;europium(3+);tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)?

3,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,10-phenanthroline;europium(3+);tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) has a molecular weight of 1282.25 g/mol, XLogP of 12.59, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,10-phenanthroline;europium(3+);tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) is sourced from PubChem (CID 139116889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).