sodium;europium(3+);4-hydroxy-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;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

C112H78EuF6N8NaO9 — CID 160669466

IUPACsodium;europium(3+);4-hydroxy-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;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.C22H19NO2.C22H17NO2.2C12H8N2.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;2-14,22,24-25H,1H3;2-14,24H,1H3;2*1-8H;;;1H2/q;;;;;;+3;+1;/p-4
InChIKeyCMIJMWBMUPHWDY-UHFFFAOYSA-J
MW1968.84 g/mol
LogP20.97
Rot. Bonds13

About sodium;europium(3+);4-hydroxy-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;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+);4-hydroxy-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;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 160669466) has the molecular formula C112H78EuF6N8NaO9 and a molecular weight of 1968.84 g/mol. Its IUPAC name is sodium;europium(3+);4-hydroxy-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;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+);4-hydroxy-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;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 CID160669466
Molecular FormulaC112H78EuF6N8NaO9
Molecular Weight1968.84 g/mol
Exact Mass1968.49
IUPAC Namesodium;europium(3+);4-hydroxy-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;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.C22H19NO2.C22H17NO2.2C12H8N2.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;2-14,22,24-25H,1H3;2-14,24H,1H3;2*1-8H;;;1H2/q;;;;;;+3;+1;/p-4
InChIKeyCMIJMWBMUPHWDY-UHFFFAOYSA-J
XLogP20.97
TPSA258.97 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001968.84
LogP ≤ 520.97
H-Bond Donors ≤ 51
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'}

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Related Compounds

europium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(9-hexylcarbazol-3-yl)-4-oxobut-2-en-2-olate)
CID 139182200
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
1,4-Dimethylcyclopenta-1,3-diene;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tetrakis(2,5-dimethylpyrrol-1-ide);bis(1,10-phenanthroline);3,3,3-trifluoro-2-methyl-2-phenylpropan-1-ol;bis(1,1,1-trifluoro-2-phenylpropan-2-ol)
CID 158738721
Carbanide;tris(1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone);bis(4,7-diphenyl-1,10-phenanthroline);europium;bis(1,10-phenanthroline);bis(2,2,2-trifluoro-1-(1-hydroxynaphthalen-2-yl)ethanone)
CID 159878031
Carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;bis(1,10-phenanthroline);bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone);tris(2,2,2-trifluoro-1-(1-hydroxynaphthalen-2-yl)ethanone)
CID 160332188
Carbanide;bis(4,7-diphenyl-1,10-phenanthroline);europium;1,10-phenanthroline;tris(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone);bis(2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone)
CID 161234990
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
1-(4-Carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol;7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;1-(4-carbazol-9-ylphenyl)-5-hydroxyhex-4-en-3-one;bis(9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole);2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 162278872
tris(dibenzoylmethanido)(o-phenanthroline)europium(III)
CID 139065699
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;3,6-dimethyl-1,8-diphenyl-4,5-dihydrophenanthrene-4,5-diide;tetrakis(4,7-diphenyl-1,10-phenanthroline);6-isothiocyanatotetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;methanone;2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;propane;pyridine-4-carboxylic acid;rhenium;ruthenium
CID 157477293
Pentasodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-(4-methyl-2-pyridinyl)pyridine-4-carboxylate);tris(pentane-2,4-diol);bis(1,10-phenanthroline-4,7-dicarboxylate);ruthenium;chloride
CID 159938073
Pentakis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);4-hydroxypent-3-en-2-one;bis(1,10-phenanthroline-4,7-dicarboxylic acid);pyridine-4-carboxylic acid;ruthenium;bis(ruthenium(2+));ruthenium(3+);heptaisothiocyanate
CID 160689182

Frequently Asked Questions

What is the IUPAC name of sodium;europium(3+);4-hydroxy-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;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+);4-hydroxy-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;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 160669466) is sodium;europium(3+);4-hydroxy-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;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+);4-hydroxy-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;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+);4-hydroxy-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;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+);4-hydroxy-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;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 CMIJMWBMUPHWDY-UHFFFAOYSA-J. The full InChI is InChI=1S/2C22H14F3NO2.C22H19NO2.C22H17NO2.2C12H8N2.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;2-14,22,24-25H,1H3;2-14,24H,1H3;2*1-8H;;;1H2/q;;;;;;+3;+1;/p-4.
What are the key properties of sodium;europium(3+);4-hydroxy-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;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+);4-hydroxy-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;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 1968.84 g/mol, XLogP of 20.97, 13 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;europium(3+);4-hydroxy-4-(9-phenylcarbazol-3-yl)but-2-en-2-olate;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 160669466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).