tris((Z)-1,3-bis[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-oxoprop-1-en-1-olate);europium(3+);1,10-phenanthroline

C93H113EuN2O24 — CID 134067850

IUPACtris((Z)-1,3-bis[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-oxoprop-1-en-1-olate);europium(3+);1,10-phenanthroline
SMILESCCOCCOCCOc1ccc(C(=O)/C=C(\[O-])c2ccc(OCCOCCOCC)cc2)cc1.CCOCCOCCOc1ccc(C(=O)/C=C(\[O-])c2ccc(OCCOCCOCC)cc2)cc1.CCOCCOCCOc1ccc(C(=O)/C=C(\[O-])c2ccc(OCCOCCOCC)cc2)cc1.[Eu+3].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/3C27H36O8.C12H8N2.Eu/c3*1-3-30-13-15-32-17-19-34-24-9-5-22(6-10-24)26(28)21-27(29)23-7-11-25(12-8-23)35-20-18-33-16-14-31-4-2;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3*5-12,21,28H,3-4,13-20H2,1-2H3;1-8H;/q;;;;+3/p-3/b3*26-21-;;
InChIKeyHEILEGNTUMDQTG-OLORFPRBSA-K
MW1794.88 g/mol
LogP12.19
Rot. Bonds57

About tris((Z)-1,3-bis[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-oxoprop-1-en-1-olate);europium(3+);1,10-phenanthroline

tris((Z)-1,3-bis[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-oxoprop-1-en-1-olate);europium(3+);1,10-phenanthroline (PubChem CID 134067850) has the molecular formula C93H113EuN2O24 and a molecular weight of 1794.88 g/mol. Its IUPAC name is tris((Z)-1,3-bis[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-oxoprop-1-en-1-olate);europium(3+);1,10-phenanthroline.

Molecular Properties

Compound Nametris((Z)-1,3-bis[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-oxoprop-1-en-1-olate);europium(3+);1,10-phenanthroline
PubChem CID134067850
Molecular FormulaC93H113EuN2O24
Molecular Weight1794.88 g/mol
Exact Mass1794.69
IUPAC Nametris((Z)-1,3-bis[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-oxoprop-1-en-1-olate);europium(3+);1,10-phenanthroline
SMILESCCOCCOCCOc1ccc(C(=O)/C=C(\[O-])c2ccc(OCCOCCOCC)cc2)cc1.CCOCCOCCOc1ccc(C(=O)/C=C(\[O-])c2ccc(OCCOCCOCC)cc2)cc1.CCOCCOCCOc1ccc(C(=O)/C=C(\[O-])c2ccc(OCCOCCOCC)cc2)cc1.[Eu+3].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/3C27H36O8.C12H8N2.Eu/c3*1-3-30-13-15-32-17-19-34-24-9-5-22(6-10-24)26(28)21-27(29)23-7-11-25(12-8-23)35-20-18-33-16-14-31-4-2;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3*5-12,21,28H,3-4,13-20H2,1-2H3;1-8H;/q;;;;+3/p-3/b3*26-21-;;
InChIKeyHEILEGNTUMDQTG-OLORFPRBSA-K
XLogP12.19
TPSA312.31 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds57
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001794.88
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

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'}

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Related Compounds

europium(3+);tris((E)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline
CID 131675766
2-ethoxyethyl 2-quinolin-8-yloxyacetate
CID 71408852
4-ethoxybenzoic acid;7-nitroquinolin-8-ol
CID 23620183
manganese(2+);bis((Z)-4-oxopent-2-en-2-olate);1,10-phenanthroline
CID 139086176
1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one
CID 67978987
(NE)-N-[1-[4-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine
CID 43457224
4-[2-(2-ethoxyethoxy)ethoxy]benzenesulfonic acid
CID 20595012
4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406
1-(4-methoxyphenyl)-3-(quinolin-8-ylamino)prop-2-en-1-one
CID 598063
N-[3-(2-ethoxyethoxy)phenyl]quinoline-6-carboxamide
CID 143859399
N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide acetate
CID 19825209
3-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-6-methyl-1,2,4,5-tetrazine
CID 168747424

Frequently Asked Questions

What is the IUPAC name of tris((Z)-1,3-bis[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-oxoprop-1-en-1-olate);europium(3+);1,10-phenanthroline?
The IUPAC name of tris((Z)-1,3-bis[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-oxoprop-1-en-1-olate);europium(3+);1,10-phenanthroline (CID 134067850) is tris((Z)-1,3-bis[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-oxoprop-1-en-1-olate);europium(3+);1,10-phenanthroline.
What is the SMILES notation for tris((Z)-1,3-bis[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-oxoprop-1-en-1-olate);europium(3+);1,10-phenanthroline?
The canonical SMILES for tris((Z)-1,3-bis[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-oxoprop-1-en-1-olate);europium(3+);1,10-phenanthroline is CCOCCOCCOc1ccc(C(=O)/C=C(\[O-])c2ccc(OCCOCCOCC)cc2)cc1.CCOCCOCCOc1ccc(C(=O)/C=C(\[O-])c2ccc(OCCOCCOCC)cc2)cc1.CCOCCOCCOc1ccc(C(=O)/C=C(\[O-])c2ccc(OCCOCCOCC)cc2)cc1.[Eu+3].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of tris((Z)-1,3-bis[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-oxoprop-1-en-1-olate);europium(3+);1,10-phenanthroline?
The InChIKey is HEILEGNTUMDQTG-OLORFPRBSA-K. The full InChI is InChI=1S/3C27H36O8.C12H8N2.Eu/c3*1-3-30-13-15-32-17-19-34-24-9-5-22(6-10-24)26(28)21-27(29)23-7-11-25(12-8-23)35-20-18-33-16-14-31-4-2;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3*5-12,21,28H,3-4,13-20H2,1-2H3;1-8H;/q;;;;+3/p-3/b3*26-21-;;.
What are the key properties of tris((Z)-1,3-bis[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-oxoprop-1-en-1-olate);europium(3+);1,10-phenanthroline?
tris((Z)-1,3-bis[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-oxoprop-1-en-1-olate);europium(3+);1,10-phenanthroline has a molecular weight of 1794.88 g/mol, XLogP of 12.19, 57 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for tris((Z)-1,3-bis[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-oxoprop-1-en-1-olate);europium(3+);1,10-phenanthroline is sourced from PubChem (CID 134067850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).