sodium;europium(3+);bis(4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate);bis(1,10-phenanthroline);1,1,1-trifluoro-4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;4,4,4-trifluoro-1-(9-phenylcarbazol-3-yl)butane-1,3-dione;hydroxide

C112H76EuF6N8NaO9 — CID 161286898

IUPACsodium;europium(3+);bis(4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate);bis(1,10-phenanthroline);1,1,1-trifluoro-4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;4,4,4-trifluoro-1-(9-phenylcarbazol-3-yl)butane-1,3-dione;hydroxide
SMILESCC([O-])=CC(=O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.CC([O-])=CC(=O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.O=C(C=C([O-])C(F)(F)F)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.O=C(CC(=O)C(F)(F)F)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.[Eu+3].[Na+].[OH-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C22H14F3NO2.2C22H17NO2.2C12H8N2.Eu.Na.H2O/c2*23-22(24,25)21(28)13-20(27)14-10-11-19-17(12-14)16-8-4-5-9-18(16)26(19)15-6-2-1-3-7-15;2*1-15(24)13-22(25)16-11-12-21-19(14-16)18-9-5-6-10-20(18)23(21)17-7-3-2-4-8-17;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/h1-12H,13H2;1-13,28H;2*2-14,24H,1H3;2*1-8H;;;1H2/q;;;;;;+3;+1;/p-4
InChIKeyVFVLVISYTFUJPH-UHFFFAOYSA-J
MW1966.83 g/mol
LogP21.11
Rot. Bonds13

About sodium;europium(3+);bis(4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate);bis(1,10-phenanthroline);1,1,1-trifluoro-4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;4,4,4-trifluoro-1-(9-phenylcarbazol-3-yl)butane-1,3-dione;hydroxide

sodium;europium(3+);bis(4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate);bis(1,10-phenanthroline);1,1,1-trifluoro-4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;4,4,4-trifluoro-1-(9-phenylcarbazol-3-yl)butane-1,3-dione;hydroxide (PubChem CID 161286898) has the molecular formula C112H76EuF6N8NaO9 and a molecular weight of 1966.83 g/mol. Its IUPAC name is sodium;europium(3+);bis(4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate);bis(1,10-phenanthroline);1,1,1-trifluoro-4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;4,4,4-trifluoro-1-(9-phenylcarbazol-3-yl)butane-1,3-dione;hydroxide.

Molecular Properties

Compound Namesodium;europium(3+);bis(4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate);bis(1,10-phenanthroline);1,1,1-trifluoro-4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;4,4,4-trifluoro-1-(9-phenylcarbazol-3-yl)butane-1,3-dione;hydroxide
PubChem CID161286898
Molecular FormulaC112H76EuF6N8NaO9
Molecular Weight1966.83 g/mol
Exact Mass1966.47
IUPAC Namesodium;europium(3+);bis(4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate);bis(1,10-phenanthroline);1,1,1-trifluoro-4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;4,4,4-trifluoro-1-(9-phenylcarbazol-3-yl)butane-1,3-dione;hydroxide
SMILESCC([O-])=CC(=O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.CC([O-])=CC(=O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.O=C(C=C([O-])C(F)(F)F)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.O=C(CC(=O)C(F)(F)F)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.[Eu+3].[Na+].[OH-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C22H14F3NO2.2C22H17NO2.2C12H8N2.Eu.Na.H2O/c2*23-22(24,25)21(28)13-20(27)14-10-11-19-17(12-14)16-8-4-5-9-18(16)26(19)15-6-2-1-3-7-15;2*1-15(24)13-22(25)16-11-12-21-19(14-16)18-9-5-6-10-20(18)23(21)17-7-3-2-4-8-17;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/h1-12H,13H2;1-13,28H;2*2-14,24H,1H3;2*1-8H;;;1H2/q;;;;;;+3;+1;/p-4
InChIKeyVFVLVISYTFUJPH-UHFFFAOYSA-J
XLogP21.11
TPSA255.81 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001966.83
LogP ≤ 521.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze sodium;europium(3+);bis(4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate);bis(1,10-phenanthroline);1,1,1-trifluoro-4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;4,4,4-trifluoro-1-(9-phenylcarbazol-3-yl)butane-1,3-dione;hydroxide with MolForge

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Related Compounds

bis(europium(3+));bis(1,10-phenanthroline);hexakis((1Z)-2,2,2-trifluoro-1-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]ethanolate)
CID 139137386
bis(neodymium(3+));hexakis((Z)-4,4,5,5,5-pentafluoro-1-naphthalen-2-yl-1-oxopent-2-en-3-olate);bis(1,10-phenanthroline)
CID 139149220
europium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(9-hexylcarbazol-3-yl)-4-oxobut-2-en-2-olate)
CID 139182200
bis(europium(3+));methanolate;bis(pyrazino[2,3-f][1,10]phenanthroline);tetrakis((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)
CID 168341485
1,4-dioxane;bis(dysprosium(3+));bis(1,10-phenanthroline);hexakis((Z)-1,1,1-trifluoro-4-(4-methylphenyl)-4-oxobut-2-en-2-olate)
CID 168344302
Cerium;tris(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;europium(2+);europium(3+);bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxypent-3-en-2-one;tris(1,10-phenanthroline);terbium;terbium(3+);octachloride
CID 157166475
3-(3,5-Dimethylbenzene-6-id-1-yl)-1-fluorobenzo[f]quinoline;3-(3,5-dimethylbenzene-6-id-1-yl)-2-fluorobenzo[f]quinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-fluorobenzo[h]isoquinoline;3-(3,5-dimethylbenzene-6-id-1-yl)-2-(trifluoromethyl)benzo[f]quinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium)
CID 157182075
(4R)-1-[5-(aminomethyl)-3H-inden-1-yl]-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157264500
2-Acetyl-3-hydroxycyclohex-2-en-1-one;7,7-difluoro-1,11-dihydrobenzo[a]phenalene-1,11-diide;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;6-phenylphenanthridine;2-phenyl-3-phenylpyrazine;2-phenyl-3-phenylquinoxaline
CID 157404518
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
(1-Cyclopropyl-2-methylindol-3-yl)-(4-methylnaphthalen-1-yl)methanone;(9-ethylcarbazol-3-yl)-(4-methylnaphthalen-1-yl)methanone;[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone;[2-methyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-c]pyridin-3-yl]-(4-methylnaphthalen-1-yl)methanone;(4-methylnaphthalen-1-yl)-[2-methyl-1-(2,2,2-trifluoroethyl)indol-3-yl]methanone
CID 157535507
2-(7-ethyl-1H-indol-3-yl)quinoline;2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;1-[2-(5-fluoro-6-methyl-1H-indol-3-yl)quinolin-5-yl]propan-1-one;1-[2-(5-fluoro-7-methyl-1H-indol-3-yl)quinolin-5-yl]propan-1-one;1-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]propan-1-one;2-(7-methyl-1H-indol-3-yl)-5-(trifluoromethyl)quinoline;6-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline
CID 157606243

Frequently Asked Questions

What is the IUPAC name of sodium;europium(3+);bis(4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate);bis(1,10-phenanthroline);1,1,1-trifluoro-4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;4,4,4-trifluoro-1-(9-phenylcarbazol-3-yl)butane-1,3-dione;hydroxide?
The IUPAC name of sodium;europium(3+);bis(4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate);bis(1,10-phenanthroline);1,1,1-trifluoro-4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;4,4,4-trifluoro-1-(9-phenylcarbazol-3-yl)butane-1,3-dione;hydroxide (CID 161286898) is sodium;europium(3+);bis(4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate);bis(1,10-phenanthroline);1,1,1-trifluoro-4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;4,4,4-trifluoro-1-(9-phenylcarbazol-3-yl)butane-1,3-dione;hydroxide.
What is the SMILES notation for sodium;europium(3+);bis(4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate);bis(1,10-phenanthroline);1,1,1-trifluoro-4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;4,4,4-trifluoro-1-(9-phenylcarbazol-3-yl)butane-1,3-dione;hydroxide?
The canonical SMILES for sodium;europium(3+);bis(4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate);bis(1,10-phenanthroline);1,1,1-trifluoro-4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;4,4,4-trifluoro-1-(9-phenylcarbazol-3-yl)butane-1,3-dione;hydroxide is CC([O-])=CC(=O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.CC([O-])=CC(=O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.O=C(C=C([O-])C(F)(F)F)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.O=C(CC(=O)C(F)(F)F)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.[Eu+3].[Na+].[OH-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of sodium;europium(3+);bis(4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate);bis(1,10-phenanthroline);1,1,1-trifluoro-4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;4,4,4-trifluoro-1-(9-phenylcarbazol-3-yl)butane-1,3-dione;hydroxide?
The InChIKey is VFVLVISYTFUJPH-UHFFFAOYSA-J. The full InChI is InChI=1S/2C22H14F3NO2.2C22H17NO2.2C12H8N2.Eu.Na.H2O/c2*23-22(24,25)21(28)13-20(27)14-10-11-19-17(12-14)16-8-4-5-9-18(16)26(19)15-6-2-1-3-7-15;2*1-15(24)13-22(25)16-11-12-21-19(14-16)18-9-5-6-10-20(18)23(21)17-7-3-2-4-8-17;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/h1-12H,13H2;1-13,28H;2*2-14,24H,1H3;2*1-8H;;;1H2/q;;;;;;+3;+1;/p-4.
What are the key properties of sodium;europium(3+);bis(4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate);bis(1,10-phenanthroline);1,1,1-trifluoro-4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;4,4,4-trifluoro-1-(9-phenylcarbazol-3-yl)butane-1,3-dione;hydroxide?
sodium;europium(3+);bis(4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate);bis(1,10-phenanthroline);1,1,1-trifluoro-4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;4,4,4-trifluoro-1-(9-phenylcarbazol-3-yl)butane-1,3-dione;hydroxide has a molecular weight of 1966.83 g/mol, XLogP of 21.11, 13 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;europium(3+);bis(4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate);bis(1,10-phenanthroline);1,1,1-trifluoro-4-oxo-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;4,4,4-trifluoro-1-(9-phenylcarbazol-3-yl)butane-1,3-dione;hydroxide is sourced from PubChem (CID 161286898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).