4,7-diphenyl-1,10-phenanthroline;europium;propane;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one

C32H29EuF3N2O2 — CID 145010484

IUPAC4,7-diphenyl-1,10-phenanthroline;europium;propane;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one
SMILESCC(=O)/C=C(\O)C(F)(F)F.CCC.[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C24H16N2.C5H5F3O2.C3H8.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;1-3(9)2-4(10)5(6,7)8;1-3-2;/h1-16H;2,10H,1H3;3H2,1-2H3;/b;4-2-;;
InChIKeyCNTVABMBYBUNMV-LAOMUXLZSA-N
MW682.55 g/mol
LogP9.11
Rot. Bonds3

About 4,7-diphenyl-1,10-phenanthroline;europium;propane;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one

4,7-diphenyl-1,10-phenanthroline;europium;propane;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one (PubChem CID 145010484) has the molecular formula C32H29EuF3N2O2 and a molecular weight of 682.55 g/mol. Its IUPAC name is 4,7-diphenyl-1,10-phenanthroline;europium;propane;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one.

Molecular Properties

Compound Name4,7-diphenyl-1,10-phenanthroline;europium;propane;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one
PubChem CID145010484
Molecular FormulaC32H29EuF3N2O2
Molecular Weight682.55 g/mol
Exact Mass683.14
IUPAC Name4,7-diphenyl-1,10-phenanthroline;europium;propane;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one
SMILESCC(=O)/C=C(\O)C(F)(F)F.CCC.[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C24H16N2.C5H5F3O2.C3H8.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;1-3(9)2-4(10)5(6,7)8;1-3-2;/h1-16H;2,10H,1H3;3H2,1-2H3;/b;4-2-;;
InChIKeyCNTVABMBYBUNMV-LAOMUXLZSA-N
XLogP9.11
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.55
LogP ≤ 59.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

4,7-Diphenyl-1,10-phenanthroline
CID 72812
1,10-Phenanthroline hydrate
CID 21226
4,7-Dimethyl-1,10-phenanthroline
CID 72792
4-Methyl-1,10-phenanthroline
CID 93149
4,7-DIMETHYL-1,10-PHENANTHROLINE hydrate
CID 24207206
(E)-4-[6-quinolin-3-yl-4-[3-(trifluoromethyl)anilino]quinolin-3-yl]but-3-en-2-one
CID 155249713
(1E,4E)-1,5-di(quinolin-4-yl)penta-1,4-dien-3-one
CID 122177408
(1E,3E,6E,8E)-1,9-di(quinolin-4-yl)nona-1,3,6,8-tetraen-5-one
CID 132601743
(1,10-Phenanthroline)(trifluoromethyl)copper(I)
CID 53341617
2,4,7-Trimethyl-1,10-phenanthroline
CID 71021965
1,10-Phenanthroline, 4,7-diphenyl-, sulfate (1:1)
CID 110135
2,3,4,7,8-Pentamethyl-1,10-phenanthroline
CID 461583

Frequently Asked Questions

What is the IUPAC name of 4,7-diphenyl-1,10-phenanthroline;europium;propane;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one?
The IUPAC name of 4,7-diphenyl-1,10-phenanthroline;europium;propane;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one (CID 145010484) is 4,7-diphenyl-1,10-phenanthroline;europium;propane;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one.
What is the SMILES notation for 4,7-diphenyl-1,10-phenanthroline;europium;propane;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one?
The canonical SMILES for 4,7-diphenyl-1,10-phenanthroline;europium;propane;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one is CC(=O)/C=C(\O)C(F)(F)F.CCC.[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of 4,7-diphenyl-1,10-phenanthroline;europium;propane;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one?
The InChIKey is CNTVABMBYBUNMV-LAOMUXLZSA-N. The full InChI is InChI=1S/C24H16N2.C5H5F3O2.C3H8.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;1-3(9)2-4(10)5(6,7)8;1-3-2;/h1-16H;2,10H,1H3;3H2,1-2H3;/b;4-2-;;.
What are the key properties of 4,7-diphenyl-1,10-phenanthroline;europium;propane;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one?
4,7-diphenyl-1,10-phenanthroline;europium;propane;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one has a molecular weight of 682.55 g/mol, XLogP of 9.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diphenyl-1,10-phenanthroline;europium;propane;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one is sourced from PubChem (CID 145010484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).