europium(3+);tris(1-(4-methoxyphenyl)-3-thiophen-2-ylpropane-1,3-dione);1,10-phenanthroline

C54H44EuN2O9S3+3 — CID 57382853

IUPACeuropium(3+);tris(1-(4-methoxyphenyl)-3-thiophen-2-ylpropane-1,3-dione);1,10-phenanthroline
SMILESCOc1ccc(C(=O)CC(=O)c2cccs2)cc1.COc1ccc(C(=O)CC(=O)c2cccs2)cc1.COc1ccc(C(=O)CC(=O)c2cccs2)cc1.[Eu+3].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/3C14H12O3S.C12H8N2.Eu/c3*1-17-11-6-4-10(5-7-11)12(15)9-13(16)14-3-2-8-18-14;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3*2-8H,9H2,1H3;1-8H;/q;;;;+3
InChIKeyGSQGIAJNYVBWLO-UHFFFAOYSA-N
MW1113.12 g/mol
LogP12.42
Rot. Bonds15

About europium(3+);tris(1-(4-methoxyphenyl)-3-thiophen-2-ylpropane-1,3-dione);1,10-phenanthroline

europium(3+);tris(1-(4-methoxyphenyl)-3-thiophen-2-ylpropane-1,3-dione);1,10-phenanthroline (PubChem CID 57382853) has the molecular formula C54H44EuN2O9S3+3 and a molecular weight of 1113.12 g/mol. Its IUPAC name is europium(3+);tris(1-(4-methoxyphenyl)-3-thiophen-2-ylpropane-1,3-dione);1,10-phenanthroline.

Molecular Properties

Compound Nameeuropium(3+);tris(1-(4-methoxyphenyl)-3-thiophen-2-ylpropane-1,3-dione);1,10-phenanthroline
PubChem CID57382853
Molecular FormulaC54H44EuN2O9S3+3
Molecular Weight1113.12 g/mol
Exact Mass1113.14
IUPAC Nameeuropium(3+);tris(1-(4-methoxyphenyl)-3-thiophen-2-ylpropane-1,3-dione);1,10-phenanthroline
SMILESCOc1ccc(C(=O)CC(=O)c2cccs2)cc1.COc1ccc(C(=O)CC(=O)c2cccs2)cc1.COc1ccc(C(=O)CC(=O)c2cccs2)cc1.[Eu+3].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/3C14H12O3S.C12H8N2.Eu/c3*1-17-11-6-4-10(5-7-11)12(15)9-13(16)14-3-2-8-18-14;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3*2-8H,9H2,1H3;1-8H;/q;;;;+3
InChIKeyGSQGIAJNYVBWLO-UHFFFAOYSA-N
XLogP12.42
TPSA155.89 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001113.12
LogP ≤ 512.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

dysprosium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(4-methoxyphenyl)-4-oxobut-2-en-2-olate)
CID 139205035
Europium;4-[7-[4-(hydroxymethoxy)phenyl]-1,10-phenanthrolin-4-yl]benzoic acid;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
CID 58667411
3,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,10-phenanthroline;europium(3+);tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)
CID 139116889
3-(4-methoxyphenyl)-N-quinolin-8-ylthiophene-2-carboxamide
CID 176429341
2-[5-[3,5-bis[5-[4-methoxy-2-(quinolin-8-ylcarbamoyl)phenyl]thiophen-2-yl]phenyl]thiophen-2-yl]-5-methoxy-N-quinolin-8-ylbenzamide
CID 176434425
4,7-Diphenyl-1,10-phenanthroline;europium;(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone
CID 20606813
3-[10-(20-Oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)anthracen-9-yl]-1,10-phenanthroline
CID 124097681
2-[3-Dibenzothiophen-2-yl-5-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)phenyl]-1,10-phenanthroline
CID 154600152
1-Methyldibenzofuran;4-methyldibenzofuran;1-methyldibenzothiophene;4-methyldibenzothiophene;9-methylphenanthrene;5-methyl-1,10-phenanthroline;2-methyltriphenylene
CID 157127210
10-(3-Dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;10-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;7-(3-dibenzothiophen-2-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine
CID 157157009
Bis(1-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]ethanone);1,10-phenanthroline
CID 157366588
3-[4-(4-Dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 157487259

Frequently Asked Questions

What is the IUPAC name of europium(3+);tris(1-(4-methoxyphenyl)-3-thiophen-2-ylpropane-1,3-dione);1,10-phenanthroline?
The IUPAC name of europium(3+);tris(1-(4-methoxyphenyl)-3-thiophen-2-ylpropane-1,3-dione);1,10-phenanthroline (CID 57382853) is europium(3+);tris(1-(4-methoxyphenyl)-3-thiophen-2-ylpropane-1,3-dione);1,10-phenanthroline.
What is the SMILES notation for europium(3+);tris(1-(4-methoxyphenyl)-3-thiophen-2-ylpropane-1,3-dione);1,10-phenanthroline?
The canonical SMILES for europium(3+);tris(1-(4-methoxyphenyl)-3-thiophen-2-ylpropane-1,3-dione);1,10-phenanthroline is COc1ccc(C(=O)CC(=O)c2cccs2)cc1.COc1ccc(C(=O)CC(=O)c2cccs2)cc1.COc1ccc(C(=O)CC(=O)c2cccs2)cc1.[Eu+3].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of europium(3+);tris(1-(4-methoxyphenyl)-3-thiophen-2-ylpropane-1,3-dione);1,10-phenanthroline?
The InChIKey is GSQGIAJNYVBWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H12O3S.C12H8N2.Eu/c3*1-17-11-6-4-10(5-7-11)12(15)9-13(16)14-3-2-8-18-14;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3*2-8H,9H2,1H3;1-8H;/q;;;;+3.
What are the key properties of europium(3+);tris(1-(4-methoxyphenyl)-3-thiophen-2-ylpropane-1,3-dione);1,10-phenanthroline?
europium(3+);tris(1-(4-methoxyphenyl)-3-thiophen-2-ylpropane-1,3-dione);1,10-phenanthroline has a molecular weight of 1113.12 g/mol, XLogP of 12.42, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for europium(3+);tris(1-(4-methoxyphenyl)-3-thiophen-2-ylpropane-1,3-dione);1,10-phenanthroline is sourced from PubChem (CID 57382853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).