4,5-dihydrophenanthrene-4,5-diide;europium;europium(2+);3-hydroxy-1,3-diphenylprop-2-en-1-one;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbut-2-ene-1,3-diol

C49H35Eu2F3N2O4S — CID 162273930

IUPAC4,5-dihydrophenanthrene-4,5-diide;europium;europium(2+);3-hydroxy-1,3-diphenylprop-2-en-1-one;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbut-2-ene-1,3-diol
SMILESO=C(C=C(O)c1ccccc1)c1ccccc1.OC(=CC(O)c1cccs1)C(F)(F)F.[Eu+2].[Eu].[c-]1cccc2ccc3ccc[c-]c3c12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C15H12O2.C14H8.C12H8N2.C8H7F3O2S.2Eu/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;;/h1-11,16H;1-6,9-10H;1-8H;1-5,12-13H;;/q;-2;;;;+2
InChIKeyFDPKOZFIPUELLF-UHFFFAOYSA-N
MW1108.82 g/mol
LogP12.63
Rot. Bonds5

About 4,5-dihydrophenanthrene-4,5-diide;europium;europium(2+);3-hydroxy-1,3-diphenylprop-2-en-1-one;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbut-2-ene-1,3-diol

4,5-dihydrophenanthrene-4,5-diide;europium;europium(2+);3-hydroxy-1,3-diphenylprop-2-en-1-one;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbut-2-ene-1,3-diol (PubChem CID 162273930) has the molecular formula C49H35Eu2F3N2O4S and a molecular weight of 1108.82 g/mol. Its IUPAC name is 4,5-dihydrophenanthrene-4,5-diide;europium;europium(2+);3-hydroxy-1,3-diphenylprop-2-en-1-one;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbut-2-ene-1,3-diol.

Molecular Properties

Compound Name4,5-dihydrophenanthrene-4,5-diide;europium;europium(2+);3-hydroxy-1,3-diphenylprop-2-en-1-one;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbut-2-ene-1,3-diol
PubChem CID162273930
Molecular FormulaC49H35Eu2F3N2O4S
Molecular Weight1108.82 g/mol
Exact Mass1110.07
IUPAC Name4,5-dihydrophenanthrene-4,5-diide;europium;europium(2+);3-hydroxy-1,3-diphenylprop-2-en-1-one;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbut-2-ene-1,3-diol
SMILESO=C(C=C(O)c1ccccc1)c1ccccc1.OC(=CC(O)c1cccs1)C(F)(F)F.[Eu+2].[Eu].[c-]1cccc2ccc3ccc[c-]c3c12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C15H12O2.C14H8.C12H8N2.C8H7F3O2S.2Eu/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;;/h1-11,16H;1-6,9-10H;1-8H;1-5,12-13H;;/q;-2;;;;+2
InChIKeyFDPKOZFIPUELLF-UHFFFAOYSA-N
XLogP12.63
TPSA103.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001108.82
LogP ≤ 512.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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

Eu(TTA)3phen
CID 72479493
(1,10-PHENANTHROLINE)TRIS[4,4,4-TRIFLUORO-1-(2-THIENYL)-1,3-BUTANEDIONATO]EUROPIUM(III),98.0per cent
CID 15369070
europium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one
CID 20606805
N-[[5-[4-(dimethylamino)phenyl]-6-phenyl-2,3-dihydro-1,4-dioxin-2-yl]methyl]-1,10-phenanthroline-2-carboxamide;europium;(Z)-1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one
CID 21349106
N-[[5-[4-(dimethylamino)phenyl]-6-phenyl-2,3-dihydro-1,4-dioxin-2-yl]methyl]-1,10-phenanthroline-2-carboxamide;samarium;(Z)-1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one
CID 21349108
europium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-methanidyloxy-4-thiophen-2-ylbut-3-en-2-one
CID 57553294
europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-enylidene]oxidanium
CID 58660899
Disodium;europium;[7-(sulfonatomethyl)-1,10-phenanthrolin-4-yl]methanesulfonate;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
CID 58667399
Europium;4-[7-[4-(hydroxymethoxy)phenyl]-1,10-phenanthrolin-4-yl]benzoic acid;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
CID 58667411
Europium;5-methyl-1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
CID 58667422
Disodium;4,7-bis(4-oxidoperoxysulfanylphenyl)-1,10-phenanthroline;europium;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
CID 58667439
CID 58894989
CID 58894989

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydrophenanthrene-4,5-diide;europium;europium(2+);3-hydroxy-1,3-diphenylprop-2-en-1-one;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbut-2-ene-1,3-diol?
The IUPAC name of 4,5-dihydrophenanthrene-4,5-diide;europium;europium(2+);3-hydroxy-1,3-diphenylprop-2-en-1-one;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbut-2-ene-1,3-diol (CID 162273930) is 4,5-dihydrophenanthrene-4,5-diide;europium;europium(2+);3-hydroxy-1,3-diphenylprop-2-en-1-one;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbut-2-ene-1,3-diol.
What is the SMILES notation for 4,5-dihydrophenanthrene-4,5-diide;europium;europium(2+);3-hydroxy-1,3-diphenylprop-2-en-1-one;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbut-2-ene-1,3-diol?
The canonical SMILES for 4,5-dihydrophenanthrene-4,5-diide;europium;europium(2+);3-hydroxy-1,3-diphenylprop-2-en-1-one;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbut-2-ene-1,3-diol is O=C(C=C(O)c1ccccc1)c1ccccc1.OC(=CC(O)c1cccs1)C(F)(F)F.[Eu+2].[Eu].[c-]1cccc2ccc3ccc[c-]c3c12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 4,5-dihydrophenanthrene-4,5-diide;europium;europium(2+);3-hydroxy-1,3-diphenylprop-2-en-1-one;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbut-2-ene-1,3-diol?
The InChIKey is FDPKOZFIPUELLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2.C14H8.C12H8N2.C8H7F3O2S.2Eu/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;;/h1-11,16H;1-6,9-10H;1-8H;1-5,12-13H;;/q;-2;;;;+2.
What are the key properties of 4,5-dihydrophenanthrene-4,5-diide;europium;europium(2+);3-hydroxy-1,3-diphenylprop-2-en-1-one;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbut-2-ene-1,3-diol?
4,5-dihydrophenanthrene-4,5-diide;europium;europium(2+);3-hydroxy-1,3-diphenylprop-2-en-1-one;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbut-2-ene-1,3-diol has a molecular weight of 1108.82 g/mol, XLogP of 12.63, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydrophenanthrene-4,5-diide;europium;europium(2+);3-hydroxy-1,3-diphenylprop-2-en-1-one;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbut-2-ene-1,3-diol is sourced from PubChem (CID 162273930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).