europium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(9-hexylcarbazol-3-yl)-4-oxobut-2-en-2-olate)

C78H71EuF9N5O6 — CID 139182200

About europium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(9-hexylcarbazol-3-yl)-4-oxobut-2-en-2-olate)

europium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(9-hexylcarbazol-3-yl)-4-oxobut-2-en-2-olate) (PubChem CID 139182200) has the molecular formula C78H71EuF9N5O6 and a molecular weight of 1497.40 g/mol. Its IUPAC name is europium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(9-hexylcarbazol-3-yl)-4-oxobut-2-en-2-olate).

Molecular Properties

• Compound Name: europium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(9-hexylcarbazol-3-yl)-4-oxobut-2-en-2-olate)
• PubChem CID: 139182200
• Molecular Formula: C78H71EuF9N5O6
• Molecular Weight: 1497.40 g/mol
• Exact Mass: 1497.45
• IUPAC Name: europium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(9-hexylcarbazol-3-yl)-4-oxobut-2-en-2-olate)
• SMILES: CCCCCCn1c2ccccc2c2cc(C(=O)/C=C(\[O-])C(F)(F)F)ccc21.CCCCCCn1c2ccccc2c2cc(C(=O)/C=C(\[O-])C(F)(F)F)ccc21.CCCCCCn1c2ccccc2c2cc(C(=O)/C=C(\[O-])C(F)(F)F)ccc21.[Eu+3].c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/3C22H22F3NO2.C12H8N2.Eu/c3*1-2-3-4-7-12-26-18-9-6-5-8-16(18)17-13-15(10-11-19(17)26)20(27)14-21(28)22(23,24)25;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3*5-6,8-11,13-14,28H,2-4,7,12H2,1H3;1-8H;/q;;;;+3/p-3/b3*21-14-
• InChIKey: UCJCJPNVOVVGQZ-LWGSSOEFSA-K
• XLogP: 18.88
• TPSA: 160.96 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 21
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1497.40
LogP ≤ 5	18.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 europium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(9-hexylcarbazol-3-yl)-4-oxobut-2-en-2-olate)?

The IUPAC name of europium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(9-hexylcarbazol-3-yl)-4-oxobut-2-en-2-olate) (CID 139182200) is europium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(9-hexylcarbazol-3-yl)-4-oxobut-2-en-2-olate).

What is the SMILES notation for europium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(9-hexylcarbazol-3-yl)-4-oxobut-2-en-2-olate)?

The canonical SMILES for europium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(9-hexylcarbazol-3-yl)-4-oxobut-2-en-2-olate) is CCCCCCn1c2ccccc2c2cc(C(=O)/C=C(\[O-])C(F)(F)F)ccc21.CCCCCCn1c2ccccc2c2cc(C(=O)/C=C(\[O-])C(F)(F)F)ccc21.CCCCCCn1c2ccccc2c2cc(C(=O)/C=C(\[O-])C(F)(F)F)ccc21.[Eu+3].c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of europium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(9-hexylcarbazol-3-yl)-4-oxobut-2-en-2-olate)?

The InChIKey is UCJCJPNVOVVGQZ-LWGSSOEFSA-K. The full InChI is InChI=1S/3C22H22F3NO2.C12H8N2.Eu/c3*1-2-3-4-7-12-26-18-9-6-5-8-16(18)17-13-15(10-11-19(17)26)20(27)14-21(28)22(23,24)25;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3*5-6,8-11,13-14,28H,2-4,7,12H2,1H3;1-8H;/q;;;;+3/p-3/b3*21-14-;;.

What are the key properties of europium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(9-hexylcarbazol-3-yl)-4-oxobut-2-en-2-olate)?

europium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(9-hexylcarbazol-3-yl)-4-oxobut-2-en-2-olate) has a molecular weight of 1497.40 g/mol, XLogP of 18.88, 21 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for europium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(9-hexylcarbazol-3-yl)-4-oxobut-2-en-2-olate) is sourced from PubChem (CID 139182200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).