europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-phenanthren-3-ylbut-2-enylidene]oxidanium

C30H20EuF3N2O2+ — CID 58660883

IUPACeuropium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-phenanthren-3-ylbut-2-enylidene]oxidanium
SMILES[Eu].[H]/[O+]=C(/C=C(\O)C(F)(F)F)c1ccc2ccc3ccccc3c2c1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C18H11F3O2.C12H8N2.Eu/c19-18(20,21)17(23)10-16(22)13-8-7-12-6-5-11-3-1-2-4-14(11)15(12)9-13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-10,23H;1-8H;/p+1/b17-10-;;
InChIKeyIFFLJOYRGXTGIB-IURREUHRSA-O
MW649.46 g/mol
LogP7.67
Rot. Bonds2

About europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-phenanthren-3-ylbut-2-enylidene]oxidanium

europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-phenanthren-3-ylbut-2-enylidene]oxidanium (PubChem CID 58660883) has the molecular formula C30H20EuF3N2O2+ and a molecular weight of 649.46 g/mol. Its IUPAC name is europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-phenanthren-3-ylbut-2-enylidene]oxidanium.

Molecular Properties

Compound Nameeuropium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-phenanthren-3-ylbut-2-enylidene]oxidanium
PubChem CID58660883
Molecular FormulaC30H20EuF3N2O2+
Molecular Weight649.46 g/mol
Exact Mass650.07
IUPAC Nameeuropium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-phenanthren-3-ylbut-2-enylidene]oxidanium
SMILES[Eu].[H]/[O+]=C(/C=C(\O)C(F)(F)F)c1ccc2ccc3ccccc3c2c1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C18H11F3O2.C12H8N2.Eu/c19-18(20,21)17(23)10-16(22)13-8-7-12-6-5-11-3-1-2-4-14(11)15(12)9-13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-10,23H;1-8H;/p+1/b17-10-;;
InChIKeyIFFLJOYRGXTGIB-IURREUHRSA-O
XLogP7.67
TPSA67.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.46
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

1-[6-(4-Quinolin-8-ylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one
CID 155526651
Naphthalen-2-yl-[4-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]piperazin-1-yl]methanone
CID 127041718
1-(2-(1,1'-Biphenyl)-4-YL-2-oxoethyl)(1,10)phenanthrolin-1-ium bromide
CID 45051066
(E)-1-(Naphthalen-2-yl)-3-(quinoxalin-2-yl)prop-2-en-1-one
CID 9027790
N-[3-(8-acetamidoquinolin-4-yl)phenyl]-2,4-bis(trifluoromethyl)benzamide
CID 76320817
(E)-3-quinoxalin-6-yl-1-[4-[(E)-3-quinoxalin-6-ylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 90671753
Naphthalen-2-yl-[4-[1-[3-(trifluoromethyl)phenyl]indole-3-carbonyl]piperazin-1-yl]methanone
CID 127041707
2-(9-Methylpyrido[3,4-b]indol-2-ium-2-yl)-1-naphthalen-2-ylethanone bromide
CID 137647683
2-(9-Benzyl-1-methylpyrido[3,4-b]indol-2-ium-2-yl)-1-naphthalen-2-ylethanone bromide
CID 137653589
5-Quinolin-8-yl-8-(trifluoromethyl)phenanthridin-6-one
CID 139050022
5-[7-(4,4-difluoropiperidine-1-carbonyl)quinolin-4-yl]-2-methyl-3H-isoindol-1-one
CID 154667318
3-Phenyl-2-quinolin-8-yl-6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-one
CID 102365124

Frequently Asked Questions

What is the IUPAC name of europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-phenanthren-3-ylbut-2-enylidene]oxidanium?
The IUPAC name of europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-phenanthren-3-ylbut-2-enylidene]oxidanium (CID 58660883) is europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-phenanthren-3-ylbut-2-enylidene]oxidanium.
What is the SMILES notation for europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-phenanthren-3-ylbut-2-enylidene]oxidanium?
The canonical SMILES for europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-phenanthren-3-ylbut-2-enylidene]oxidanium is [Eu].[H]/[O+]=C(/C=C(\O)C(F)(F)F)c1ccc2ccc3ccccc3c2c1.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-phenanthren-3-ylbut-2-enylidene]oxidanium?
The InChIKey is IFFLJOYRGXTGIB-IURREUHRSA-O. The full InChI is InChI=1S/C18H11F3O2.C12H8N2.Eu/c19-18(20,21)17(23)10-16(22)13-8-7-12-6-5-11-3-1-2-4-14(11)15(12)9-13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-10,23H;1-8H;/p+1/b17-10-;;.
What are the key properties of europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-phenanthren-3-ylbut-2-enylidene]oxidanium?
europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-phenanthren-3-ylbut-2-enylidene]oxidanium has a molecular weight of 649.46 g/mol, XLogP of 7.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for europium;1,10-phenanthroline;[(Z)-4,4,4-trifluoro-3-hydroxy-1-phenanthren-3-ylbut-2-enylidene]oxidanium is sourced from PubChem (CID 58660883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).