7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;europium;europium(2+);europium(3+);tris(1,10-phenanthroline);terbium;2,8,15,21-tetraoxa-5,18-dithiatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;tris(4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one)

C106H101Eu4F9N8O14S5Tb+5 — CID 162027036

IUPAC7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;europium;europium(2+);europium(3+);tris(1,10-phenanthroline);terbium;2,8,15,21-tetraoxa-5,18-dithiatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;tris(4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one)
SMILESO=C(C=C(O)C(F)(F)F)c1cccs1.O=C(C=C(O)C(F)(F)F)c1cccs1.O=C(C=C(O)C(F)(F)F)c1cccs1.[Eu+2].[Eu+3].[Eu].[Eu].[Tb].c1ccc(CN2CCOCCOCCN(Cc3ccccc3)CCOCCOCC2)cc1.c1ccc2c(c1)OCCSCCOc1ccccc1OCCSCCO2.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C26H38N2O4.C20H24O4S2.3C12H8N2.3C8H5F3O2S.4Eu.Tb/c1-3-7-25(8-4-1)23-27-11-15-29-19-21-31-17-13-28(24-26-9-5-2-6-10-26)14-18-32-22-20-30-16-12-27;1-2-6-18-17(5-1)21-9-13-25-15-11-23-19-7-3-4-8-20(19)24-12-16-26-14-10-22-18;3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;;;;;/h1-10H,11-24H2;1-8H,9-16H2;3*1-8H;3*1-4,13H;;;;;/q;;;;;;;;;;+2;+3;
InChIKeyOKDYHEPCRVGZCJ-UHFFFAOYSA-N
MW2809.11 g/mol
LogP24.61
Rot. Bonds10

About 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;europium;europium(2+);europium(3+);tris(1,10-phenanthroline);terbium;2,8,15,21-tetraoxa-5,18-dithiatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;tris(4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one)

7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;europium;europium(2+);europium(3+);tris(1,10-phenanthroline);terbium;2,8,15,21-tetraoxa-5,18-dithiatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;tris(4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one) (PubChem CID 162027036) has the molecular formula C106H101Eu4F9N8O14S5Tb+5 and a molecular weight of 2809.11 g/mol. Its IUPAC name is 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;europium;europium(2+);europium(3+);tris(1,10-phenanthroline);terbium;2,8,15,21-tetraoxa-5,18-dithiatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;tris(4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one).

Molecular Properties

Compound Name7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;europium;europium(2+);europium(3+);tris(1,10-phenanthroline);terbium;2,8,15,21-tetraoxa-5,18-dithiatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;tris(4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one)
PubChem CID162027036
Molecular FormulaC106H101Eu4F9N8O14S5Tb+5
Molecular Weight2809.11 g/mol
Exact Mass2811.20
IUPAC Name7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;europium;europium(2+);europium(3+);tris(1,10-phenanthroline);terbium;2,8,15,21-tetraoxa-5,18-dithiatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;tris(4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one)
SMILESO=C(C=C(O)C(F)(F)F)c1cccs1.O=C(C=C(O)C(F)(F)F)c1cccs1.O=C(C=C(O)C(F)(F)F)c1cccs1.[Eu+2].[Eu+3].[Eu].[Eu].[Tb].c1ccc(CN2CCOCCOCCN(Cc3ccccc3)CCOCCOCC2)cc1.c1ccc2c(c1)OCCSCCOc1ccccc1OCCSCCO2.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C26H38N2O4.C20H24O4S2.3C12H8N2.3C8H5F3O2S.4Eu.Tb/c1-3-7-25(8-4-1)23-27-11-15-29-19-21-31-17-13-28(24-26-9-5-2-6-10-26)14-18-32-22-20-30-16-12-27;1-2-6-18-17(5-1)21-9-13-25-15-11-23-19-7-3-4-8-20(19)24-12-16-26-14-10-22-18;3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;;;;;/h1-10H,11-24H2;1-8H,9-16H2;3*1-8H;3*1-4,13H;;;;;/q;;;;;;;;;;+2;+3;
InChIKeyOKDYHEPCRVGZCJ-UHFFFAOYSA-N
XLogP24.61
TPSA269.56 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds10
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002809.11
LogP ≤ 524.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;europium;europium(2+);europium(3+);tris(1,10-phenanthroline);terbium;2,8,15,21-tetraoxa-5,18-dithiatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;tris(4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one) with MolForge

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Related Compounds

carbanylium;3-(3H-dibenzofuran-3-id-4-yl)-1,2-dihydroimidazole;europium;4-hydroxypent-3-en-2-one;tris(iridium);methane;1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);1-phenyl-3-phenyl-2H-benzimidazole;terbium;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one
CID 157099903
10H-benzo[h]quinolin-10-ide;carbanylium;1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazole;dysprosium;europium;4-hydroxypent-3-en-2-one;tris(iridium);1-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1,10-phenanthroline);1-phenyl-3-phenyl-2H-benzimidazole;terbium;1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one;1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one
CID 157727391
7,16-Dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;bis(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;europium;europium(2+);bis(europium(3+));1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;bis(1,10-phenanthroline);terbium;2,8,15,21-tetraoxa-5,18-dithiatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;tris(4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one)
CID 158974492
7,16-Dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;europium;bis(europium(2+));europium(3+);2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;1,10-phenanthroline;2,8,15,21-tetraoxa-5,18-dithiatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin;4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one
CID 160191780
7,16-Dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine;europium;bis(europium(2+));europium(3+);2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;1,10-phenanthroline;2,8,15,21-tetraoxa-5,18-dithiatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;bis(4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one)
CID 161869845
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
3,5-Bis(3-dibenzofuran-4-ylphenyl)pyridine;3,5-bis(3-dibenzothiophen-4-ylphenyl)pyridine;9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;4,7-diphenyl-1,10-phenanthroline;iridium;2-phenylpyridine
CID 159925551
2-[4-[3-[3-(1-Benzofuran-2-yl)phenyl]pyren-1-yl]phenyl]-1,10-phenanthroline;3-[4-[3-[4-(1-benzofuran-2-yl)phenyl]pyren-1-yl]phenyl]quinoline;4-[4-[3-[4-(1-benzothiophen-2-yl)phenyl]pyren-1-yl]phenyl]pyridine;bis(1-phenyl-2-[4-[3-(4-pyridin-2-ylphenyl)pyren-1-yl]phenyl]indole);1-phenyl-2-[4-[3-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]indole;4-[3-[4-(5-phenylthiophen-2-yl)phenyl]pyren-1-yl]pyridine
CID 160018441
3,8-Bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,10-phenanthroline;3,8-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]-1,10-phenanthroline;europium;bis(3-hydroxy-1,3-diphenylprop-2-en-1-one);methane
CID 161177051

Frequently Asked Questions

What is the IUPAC name of 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;europium;europium(2+);europium(3+);tris(1,10-phenanthroline);terbium;2,8,15,21-tetraoxa-5,18-dithiatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;tris(4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one)?
The IUPAC name of 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;europium;europium(2+);europium(3+);tris(1,10-phenanthroline);terbium;2,8,15,21-tetraoxa-5,18-dithiatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;tris(4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one) (CID 162027036) is 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;europium;europium(2+);europium(3+);tris(1,10-phenanthroline);terbium;2,8,15,21-tetraoxa-5,18-dithiatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;tris(4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one).
What is the SMILES notation for 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;europium;europium(2+);europium(3+);tris(1,10-phenanthroline);terbium;2,8,15,21-tetraoxa-5,18-dithiatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;tris(4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one)?
The canonical SMILES for 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;europium;europium(2+);europium(3+);tris(1,10-phenanthroline);terbium;2,8,15,21-tetraoxa-5,18-dithiatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;tris(4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one) is O=C(C=C(O)C(F)(F)F)c1cccs1.O=C(C=C(O)C(F)(F)F)c1cccs1.O=C(C=C(O)C(F)(F)F)c1cccs1.[Eu+2].[Eu+3].[Eu].[Eu].[Tb].c1ccc(CN2CCOCCOCCN(Cc3ccccc3)CCOCCOCC2)cc1.c1ccc2c(c1)OCCSCCOc1ccccc1OCCSCCO2.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;europium;europium(2+);europium(3+);tris(1,10-phenanthroline);terbium;2,8,15,21-tetraoxa-5,18-dithiatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;tris(4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one)?
The InChIKey is OKDYHEPCRVGZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O4.C20H24O4S2.3C12H8N2.3C8H5F3O2S.4Eu.Tb/c1-3-7-25(8-4-1)23-27-11-15-29-19-21-31-17-13-28(24-26-9-5-2-6-10-26)14-18-32-22-20-30-16-12-27;1-2-6-18-17(5-1)21-9-13-25-15-11-23-19-7-3-4-8-20(19)24-12-16-26-14-10-22-18;3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;;;;;/h1-10H,11-24H2;1-8H,9-16H2;3*1-8H;3*1-4,13H;;;;;/q;;;;;;;;;;+2;+3;.
What are the key properties of 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;europium;europium(2+);europium(3+);tris(1,10-phenanthroline);terbium;2,8,15,21-tetraoxa-5,18-dithiatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;tris(4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one)?
7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;europium;europium(2+);europium(3+);tris(1,10-phenanthroline);terbium;2,8,15,21-tetraoxa-5,18-dithiatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;tris(4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one) has a molecular weight of 2809.11 g/mol, XLogP of 24.61, 10 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;europium;europium(2+);europium(3+);tris(1,10-phenanthroline);terbium;2,8,15,21-tetraoxa-5,18-dithiatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;tris(4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one) is sourced from PubChem (CID 162027036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).