europium(3+);1,10-phenanthroline;tris((Z)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenecarboximidate)

C57H38EuN11O6 — CID 139149980

IUPACeuropium(3+);1,10-phenanthroline;tris((Z)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenecarboximidate)
SMILES[Eu+3].[O-]/C(=N\c1nnc(-c2ccccc2)o1)c1ccccc1.[O-]/C(=N\c1nnc(-c2ccccc2)o1)c1ccccc1.[O-]/C(=N\c1nnc(-c2ccccc2)o1)c1ccccc1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/3C15H11N3O2.C12H8N2.Eu/c3*19-13(11-7-3-1-4-8-11)16-15-18-17-14(20-15)12-9-5-2-6-10-12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3*1-10H,(H,16,18,19);1-8H;/q;;;;+3/p-3
InChIKeyURWXSASSDBRYFI-UHFFFAOYSA-K
MW1124.97 g/mol
LogP9.31
Rot. Bonds9

About europium(3+);1,10-phenanthroline;tris((Z)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenecarboximidate)

europium(3+);1,10-phenanthroline;tris((Z)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenecarboximidate) (PubChem CID 139149980) has the molecular formula C57H38EuN11O6 and a molecular weight of 1124.97 g/mol. Its IUPAC name is europium(3+);1,10-phenanthroline;tris((Z)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenecarboximidate).

Molecular Properties

Compound Nameeuropium(3+);1,10-phenanthroline;tris((Z)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenecarboximidate)
PubChem CID139149980
Molecular FormulaC57H38EuN11O6
Molecular Weight1124.97 g/mol
Exact Mass1125.22
IUPAC Nameeuropium(3+);1,10-phenanthroline;tris((Z)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenecarboximidate)
SMILES[Eu+3].[O-]/C(=N\c1nnc(-c2ccccc2)o1)c1ccccc1.[O-]/C(=N\c1nnc(-c2ccccc2)o1)c1ccccc1.[O-]/C(=N\c1nnc(-c2ccccc2)o1)c1ccccc1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/3C15H11N3O2.C12H8N2.Eu/c3*19-13(11-7-3-1-4-8-11)16-15-18-17-14(20-15)12-9-5-2-6-10-12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3*1-10H,(H,16,18,19);1-8H;/q;;;;+3/p-3
InChIKeyURWXSASSDBRYFI-UHFFFAOYSA-K
XLogP9.31
TPSA248.80 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001124.97
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

tris(dibenzoylmethanido)(o-phenanthroline)europium(III)
CID 139065699
Dicopper;4-(4-carboxylatophenyl)benzoate;tetrakis(1,10-phenanthroline);diazide;pentahydrate
CID 168344091
2-(1,10-Phenanthrolin-2-yl)-5-[4-[5-(1,10-phenanthrolin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 57865063
2-Phenyl-5-[4-[23-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-4,9,18,23-tetrazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaen-9-yl]phenyl]-1,3,4-oxadiazole
CID 89308912
2,5-Bis[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-1,3,4-oxadiazole
CID 90091342
2-[4-[2,9-Dimethyl-7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 90290126
5-(4-Tert-butylphenyl)-3-[2-[3-[1-[3-(4,7-diphenyl-1,10-phenanthrolin-1-ium-1-yl)phenyl]benzimidazol-2-yl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-3-phenylbenzimidazol-5-yl]-2-(4-phenylphenyl)-1,3,4-oxadiazol-3-ium
CID 91238558
2-Phenyl-5-[4-[11-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-2,5,10,13-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,10,13,15-octaen-3-yl]phenyl]-1,3,4-oxadiazole
CID 118564715
2-(9-Pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-2-yl)-1,3,4-oxadiazole
CID 122593718
2,5-Bis(9-pyridin-3-ylcarbazol-2-yl)-1,3,4-oxadiazole
CID 122593756
2-(9-Pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole
CID 122593792
2-(9-Pyridin-3-ylcarbazol-2-yl)-5-(9-pyridin-3-yl-5,6-dihydrocarbazol-2-yl)-1,3,4-oxadiazole
CID 122594098

Frequently Asked Questions

What is the IUPAC name of europium(3+);1,10-phenanthroline;tris((Z)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenecarboximidate)?
The IUPAC name of europium(3+);1,10-phenanthroline;tris((Z)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenecarboximidate) (CID 139149980) is europium(3+);1,10-phenanthroline;tris((Z)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenecarboximidate).
What is the SMILES notation for europium(3+);1,10-phenanthroline;tris((Z)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenecarboximidate)?
The canonical SMILES for europium(3+);1,10-phenanthroline;tris((Z)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenecarboximidate) is [Eu+3].[O-]/C(=N\c1nnc(-c2ccccc2)o1)c1ccccc1.[O-]/C(=N\c1nnc(-c2ccccc2)o1)c1ccccc1.[O-]/C(=N\c1nnc(-c2ccccc2)o1)c1ccccc1.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of europium(3+);1,10-phenanthroline;tris((Z)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenecarboximidate)?
The InChIKey is URWXSASSDBRYFI-UHFFFAOYSA-K. The full InChI is InChI=1S/3C15H11N3O2.C12H8N2.Eu/c3*19-13(11-7-3-1-4-8-11)16-15-18-17-14(20-15)12-9-5-2-6-10-12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3*1-10H,(H,16,18,19);1-8H;/q;;;;+3/p-3.
What are the key properties of europium(3+);1,10-phenanthroline;tris((Z)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenecarboximidate)?
europium(3+);1,10-phenanthroline;tris((Z)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenecarboximidate) has a molecular weight of 1124.97 g/mol, XLogP of 9.31, 9 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for europium(3+);1,10-phenanthroline;tris((Z)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenecarboximidate) is sourced from PubChem (CID 139149980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).