ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate)

C108H96Eu2N6O18 — CID 139141812

IUPACethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate)
SMILESCCO.CCO.CCO.CCO.CCO.CCO.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.[Eu+3].[Eu+3]
InChIInChI=1S/6C16H11NO2.6C2H6O.2Eu/c6*18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;6*1-2-3;;/h6*1-10H,(H,18,19);6*3H,2H2,1H3;;/q;;;;;;;;;;;;2*+3/p-6
InChIKeyYCPAQSYQGCKWRI-UHFFFAOYSA-H
MW2069.91 g/mol
LogP13.58
Rot. Bonds12

About ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate)

ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate) (PubChem CID 139141812) has the molecular formula C108H96Eu2N6O18 and a molecular weight of 2069.91 g/mol. Its IUPAC name is ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate).

Molecular Properties

Compound Nameethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate)
PubChem CID139141812
Molecular FormulaC108H96Eu2N6O18
Molecular Weight2069.91 g/mol
Exact Mass2070.52
IUPAC Nameethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate)
SMILESCCO.CCO.CCO.CCO.CCO.CCO.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.[Eu+3].[Eu+3]
InChIInChI=1S/6C16H11NO2.6C2H6O.2Eu/c6*18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;6*1-2-3;;/h6*1-10H,(H,18,19);6*3H,2H2,1H3;;/q;;;;;;;;;;;;2*+3/p-6
InChIKeyYCPAQSYQGCKWRI-UHFFFAOYSA-H
XLogP13.58
TPSA439.50 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002069.91
LogP ≤ 513.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

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Related Compounds

sodium 2-phenylquinoline-4-carboxylate
CID 23691042
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 7017781
6-bromo-2-phenylquinoline-4-carboxylate
CID 6974957
2-phenylquinoline-4-carboxylic acid;prop-1-ene
CID 143187114
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
sodium (2-phenylquinoline-4-carbonyl)azanide
CID 140991412
triethylplumbyl 2-phenylquinoline-4-carboxylate
CID 16683347
1-(2-phenylquinolin-4-yl)heptan-1-one
CID 159379638
4-(4-carboxyquinolin-2-yl)phenolate
CID 135399143

Frequently Asked Questions

What is the IUPAC name of ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate)?
The IUPAC name of ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate) (CID 139141812) is ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate).
What is the SMILES notation for ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate)?
The canonical SMILES for ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate) is CCO.CCO.CCO.CCO.CCO.CCO.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.[Eu+3].[Eu+3].
What is the InChIKey of ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate)?
The InChIKey is YCPAQSYQGCKWRI-UHFFFAOYSA-H. The full InChI is InChI=1S/6C16H11NO2.6C2H6O.2Eu/c6*18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;6*1-2-3;;/h6*1-10H,(H,18,19);6*3H,2H2,1H3;;/q;;;;;;;;;;;;2*+3/p-6.
What are the key properties of ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate)?
ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate) has a molecular weight of 2069.91 g/mol, XLogP of 13.58, 12 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate) is sourced from PubChem (CID 139141812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).