bis(europium(3+));bis(2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline);hexaacetate

C50H42Eu2N8O12 — CID 139203985

IUPACbis(europium(3+));bis(2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline);hexaacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Eu+3].[Eu+3].c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
InChIInChI=1S/2C19H12N4.6C2H4O2.2Eu/c2*1-2-6-12(7-3-1)19-22-17-13-8-4-10-20-15(13)16-14(18(17)23-19)9-5-11-21-16;6*1-2(3)4;;/h2*1-11H,(H,22,23);6*1H3,(H,3,4);;/q;;;;;;;;2*+3/p-6
InChIKeySRYVXTSDJAHELV-UHFFFAOYSA-H
MW1250.86 g/mol
LogP1.19
Rot. Bonds2

About bis(europium(3+));bis(2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline);hexaacetate

bis(europium(3+));bis(2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline);hexaacetate (PubChem CID 139203985) has the molecular formula C50H42Eu2N8O12 and a molecular weight of 1250.86 g/mol. Its IUPAC name is bis(europium(3+));bis(2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline);hexaacetate.

Molecular Properties

Compound Namebis(europium(3+));bis(2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline);hexaacetate
PubChem CID139203985
Molecular FormulaC50H42Eu2N8O12
Molecular Weight1250.86 g/mol
Exact Mass1252.13
IUPAC Namebis(europium(3+));bis(2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline);hexaacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Eu+3].[Eu+3].c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
InChIInChI=1S/2C19H12N4.6C2H4O2.2Eu/c2*1-2-6-12(7-3-1)19-22-17-13-8-4-10-20-15(13)16-14(18(17)23-19)9-5-11-21-16;6*1-2(3)4;;/h2*1-11H,(H,22,23);6*1H3,(H,3,4);;/q;;;;;;;;2*+3/p-6
InChIKeySRYVXTSDJAHELV-UHFFFAOYSA-H
XLogP1.19
TPSA349.70 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds2
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001250.86
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid
CID 46865048
methyl 4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoate
CID 102508548
2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline;bis(N-pyridin-2-ylpyridin-2-amine);ruthenium(2+);diperchlorate
CID 72734576
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2,6-dimethoxyphenol
CID 136776464
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzonitrile
CID 46865047
2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 15376894
2-(3,5-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 102048569
2-phenyl-1H-phenanthro[9,10-d]imidazole
CID 626372
2-[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]-N,N-dimethylethanamine
CID 71533939
2-(2-ethynylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 166691371
2-(1H-indol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 141245187
2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methoxyphenol
CID 135589912

Frequently Asked Questions

What is the IUPAC name of bis(europium(3+));bis(2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline);hexaacetate?
The IUPAC name of bis(europium(3+));bis(2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline);hexaacetate (CID 139203985) is bis(europium(3+));bis(2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline);hexaacetate.
What is the SMILES notation for bis(europium(3+));bis(2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline);hexaacetate?
The canonical SMILES for bis(europium(3+));bis(2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline);hexaacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Eu+3].[Eu+3].c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.
What is the InChIKey of bis(europium(3+));bis(2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline);hexaacetate?
The InChIKey is SRYVXTSDJAHELV-UHFFFAOYSA-H. The full InChI is InChI=1S/2C19H12N4.6C2H4O2.2Eu/c2*1-2-6-12(7-3-1)19-22-17-13-8-4-10-20-15(13)16-14(18(17)23-19)9-5-11-21-16;6*1-2(3)4;;/h2*1-11H,(H,22,23);6*1H3,(H,3,4);;/q;;;;;;;;2*+3/p-6.
What are the key properties of bis(europium(3+));bis(2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline);hexaacetate?
bis(europium(3+));bis(2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline);hexaacetate has a molecular weight of 1250.86 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(europium(3+));bis(2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline);hexaacetate is sourced from PubChem (CID 139203985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).