pentakis(europium(3+));pentadecakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);pentakis(1,10-phenanthroline)

C285H205Eu5N10O30 — CID 139065699

IUPACpentakis(europium(3+));pentadecakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);pentakis(1,10-phenanthroline)
SMILESO=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[Eu+3].[Eu+3].[Eu+3].[Eu+3].[Eu+3].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/15C15H12O2.5C12H8N2.5Eu/c15*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;5*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;;/h15*1-11,16H;5*1-8H;;;;;/q;;;;;;;;;;;;;;;;;;;;5*+3/p-15/b15*14-11-;;;;;;;;;;
InChIKeyFRWXUJSAIFCTCU-XOIWJSHUSA-A
MW5009.63 g/mol
LogP47.98
Rot. Bonds45

About pentakis(europium(3+));pentadecakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);pentakis(1,10-phenanthroline)

pentakis(europium(3+));pentadecakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);pentakis(1,10-phenanthroline) (PubChem CID 139065699) has the molecular formula C285H205Eu5N10O30 and a molecular weight of 5009.63 g/mol. Its IUPAC name is pentakis(europium(3+));pentadecakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);pentakis(1,10-phenanthroline).

Molecular Properties

Compound Namepentakis(europium(3+));pentadecakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);pentakis(1,10-phenanthroline)
PubChem CID139065699
Molecular FormulaC285H205Eu5N10O30
Molecular Weight5009.63 g/mol
Exact Mass5011.09
IUPAC Namepentakis(europium(3+));pentadecakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);pentakis(1,10-phenanthroline)
SMILESO=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[Eu+3].[Eu+3].[Eu+3].[Eu+3].[Eu+3].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/15C15H12O2.5C12H8N2.5Eu/c15*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;5*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;;/h15*1-11,16H;5*1-8H;;;;;/q;;;;;;;;;;;;;;;;;;;;5*+3/p-15/b15*14-11-;;;;;;;;;;
InChIKeyFRWXUJSAIFCTCU-XOIWJSHUSA-A
XLogP47.98
TPSA730.85 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds45
Heavy Atoms330
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005009.63
LogP ≤ 547.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

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Related Compounds

Tris(dibenzoylmethane)phenanthroline europium(III)
CID 156619803
1-(4-tert-butylbenzene-6-id-1-yl)isoquinoline;dysprosium;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-(3H-naphthalen-3-id-2-yl)isoquinoline;1,10-phenanthroline;1-phenylisoquinoline;3-phenylisoquinoline;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
CID 157243831
2-(4-tert-butylbenzene-6-id-1-yl)pyridine;bis(2-(9,9-diethyl-3H-fluoren-3-id-2-yl)quinoline);heptakis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);3-ethyl-4-hydroxypent-3-en-2-one;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;4-hydroxy-3-methylpent-3-en-2-one;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;nonakis(iridium);2-phenylpyridine
CID 157287608
Cerium;tetrakis(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;heptakis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);tris(1,10-phenanthroline);terbium
CID 157432516
Cerium;tris(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;hexakis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);tris(1,10-phenanthroline);terbium
CID 157616899
3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;hexakis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;4-hydroxy-3-methylpent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium)
CID 157686881
Bis(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;europium(2+);europium(3+);bis(4-hydroxypent-3-en-2-one);tetrakis(1,10-phenanthroline);terbium;terbium(3+);2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone;octachloride
CID 158091768
Carbanide;4,7-diphenyl-1,10-phenanthroline;europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone
CID 158217641
Bis(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;europium(2+);europium(3+);bis(4-hydroxypent-3-en-2-one);tetrakis(1,10-phenanthroline);terbium;terbium(3+);2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone;nonachloride
CID 158236585
Europium;(3-hydroxy-1,3-diphenylprop-2-enylidene)oxidanium;[3-hydroxy-3-(2,3,4,5,6-pentafluorophenyl)-1-(2,3,4,5-tetrafluorophenyl)prop-2-enylidene]oxidanium;pentakis(1,10-phenanthroline);(4,4,4-trifluoro-3-hydroxy-1-naphthalen-1-ylbut-2-enylidene)oxidanium;(4,4,4-trifluoro-3-hydroxy-1-phenanthren-3-ylbut-2-enylidene)oxidanium;(4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-enylidene)oxidanium
CID 158277623
6-(3,5-Difluorobenzene-6-id-1-yl)phenanthridine;europium;3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);bis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;bis(1,10-phenanthroline);6-phenylphenanthridine;platinum(2+);4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one
CID 158278170
3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine;hexakis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;4-hydroxy-3-methylpent-3-en-2-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;octakis(iridium)
CID 158307132

Frequently Asked Questions

What is the IUPAC name of pentakis(europium(3+));pentadecakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);pentakis(1,10-phenanthroline)?
The IUPAC name of pentakis(europium(3+));pentadecakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);pentakis(1,10-phenanthroline) (CID 139065699) is pentakis(europium(3+));pentadecakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);pentakis(1,10-phenanthroline).
What is the SMILES notation for pentakis(europium(3+));pentadecakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);pentakis(1,10-phenanthroline)?
The canonical SMILES for pentakis(europium(3+));pentadecakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);pentakis(1,10-phenanthroline) is O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[Eu+3].[Eu+3].[Eu+3].[Eu+3].[Eu+3].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of pentakis(europium(3+));pentadecakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);pentakis(1,10-phenanthroline)?
The InChIKey is FRWXUJSAIFCTCU-XOIWJSHUSA-A. The full InChI is InChI=1S/15C15H12O2.5C12H8N2.5Eu/c15*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;5*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;;/h15*1-11,16H;5*1-8H;;;;;/q;;;;;;;;;;;;;;;;;;;;5*+3/p-15/b15*14-11-;;;;;;;;;;.
What are the key properties of pentakis(europium(3+));pentadecakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);pentakis(1,10-phenanthroline)?
pentakis(europium(3+));pentadecakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);pentakis(1,10-phenanthroline) has a molecular weight of 5009.63 g/mol, XLogP of 47.98, 45 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(europium(3+));pentadecakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);pentakis(1,10-phenanthroline) is sourced from PubChem (CID 139065699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).