benzene;bis(europium(3+));hexakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1-oxido-2-(1-oxidopyridin-1-ium-2-yl)pyridin-1-ium)

C56H28Eu2F36N4O16 — CID 139135783

IUPACbenzene;bis(europium(3+));hexakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1-oxido-2-(1-oxidopyridin-1-ium-2-yl)pyridin-1-ium)
SMILESO=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Eu+3].[Eu+3].[O-][n+]1ccccc1-c1cccc[n+]1[O-].[O-][n+]1ccccc1-c1cccc[n+]1[O-].c1ccccc1
InChIInChI=1S/2C10H8N2O2.C6H6.6C5H2F6O2.2Eu/c2*13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14;1-2-4-6-5-3-1;6*6-4(7,8)2(12)1-3(13)5(9,10)11;;/h2*1-8H;1-6H;6*1,12H;;/q;;;;;;;;;2*+3/p-6/b;;;6*2-1-;;
InChIKeyKEFYHFCRGTYERC-ADJPGHMNSA-H
MW2000.71 g/mol
LogP8.47
Rot. Bonds8

About benzene;bis(europium(3+));hexakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1-oxido-2-(1-oxidopyridin-1-ium-2-yl)pyridin-1-ium)

benzene;bis(europium(3+));hexakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1-oxido-2-(1-oxidopyridin-1-ium-2-yl)pyridin-1-ium) (PubChem CID 139135783) has the molecular formula C56H28Eu2F36N4O16 and a molecular weight of 2000.71 g/mol. Its IUPAC name is benzene;bis(europium(3+));hexakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1-oxido-2-(1-oxidopyridin-1-ium-2-yl)pyridin-1-ium).

Molecular Properties

Compound Namebenzene;bis(europium(3+));hexakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1-oxido-2-(1-oxidopyridin-1-ium-2-yl)pyridin-1-ium)
PubChem CID139135783
Molecular FormulaC56H28Eu2F36N4O16
Molecular Weight2000.71 g/mol
Exact Mass2001.94
IUPAC Namebenzene;bis(europium(3+));hexakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1-oxido-2-(1-oxidopyridin-1-ium-2-yl)pyridin-1-ium)
SMILESO=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Eu+3].[Eu+3].[O-][n+]1ccccc1-c1cccc[n+]1[O-].[O-][n+]1ccccc1-c1cccc[n+]1[O-].c1ccccc1
InChIInChI=1S/2C10H8N2O2.C6H6.6C5H2F6O2.2Eu/c2*13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14;1-2-4-6-5-3-1;6*6-4(7,8)2(12)1-3(13)5(9,10)11;;/h2*1-8H;1-6H;6*1,12H;;/q;;;;;;;;;2*+3/p-6/b;;;6*2-1-;;
InChIKeyKEFYHFCRGTYERC-ADJPGHMNSA-H
XLogP8.47
TPSA348.54 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002000.71
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze benzene;bis(europium(3+));hexakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1-oxido-2-(1-oxidopyridin-1-ium-2-yl)pyridin-1-ium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(lanthanum(3+));bis(2-pyridin-2-ylpyridine)
CID 139173571

Frequently Asked Questions

What is the IUPAC name of benzene;bis(europium(3+));hexakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1-oxido-2-(1-oxidopyridin-1-ium-2-yl)pyridin-1-ium)?
The IUPAC name of benzene;bis(europium(3+));hexakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1-oxido-2-(1-oxidopyridin-1-ium-2-yl)pyridin-1-ium) (CID 139135783) is benzene;bis(europium(3+));hexakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1-oxido-2-(1-oxidopyridin-1-ium-2-yl)pyridin-1-ium).
What is the SMILES notation for benzene;bis(europium(3+));hexakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1-oxido-2-(1-oxidopyridin-1-ium-2-yl)pyridin-1-ium)?
The canonical SMILES for benzene;bis(europium(3+));hexakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1-oxido-2-(1-oxidopyridin-1-ium-2-yl)pyridin-1-ium) is O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Eu+3].[Eu+3].[O-][n+]1ccccc1-c1cccc[n+]1[O-].[O-][n+]1ccccc1-c1cccc[n+]1[O-].c1ccccc1.
What is the InChIKey of benzene;bis(europium(3+));hexakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1-oxido-2-(1-oxidopyridin-1-ium-2-yl)pyridin-1-ium)?
The InChIKey is KEFYHFCRGTYERC-ADJPGHMNSA-H. The full InChI is InChI=1S/2C10H8N2O2.C6H6.6C5H2F6O2.2Eu/c2*13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14;1-2-4-6-5-3-1;6*6-4(7,8)2(12)1-3(13)5(9,10)11;;/h2*1-8H;1-6H;6*1,12H;;/q;;;;;;;;;2*+3/p-6/b;;;6*2-1-;;.
What are the key properties of benzene;bis(europium(3+));hexakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1-oxido-2-(1-oxidopyridin-1-ium-2-yl)pyridin-1-ium)?
benzene;bis(europium(3+));hexakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1-oxido-2-(1-oxidopyridin-1-ium-2-yl)pyridin-1-ium) has a molecular weight of 2000.71 g/mol, XLogP of 8.47, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(europium(3+));hexakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1-oxido-2-(1-oxidopyridin-1-ium-2-yl)pyridin-1-ium) is sourced from PubChem (CID 139135783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).