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)

C183H179Eu5F15N12O22S5Tb2+8 — CID 158974492

About 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)

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) (PubChem CID 158974492) has the molecular formula C183H179Eu5F15N12O22S5Tb2+8 and a molecular weight of 4421.48 g/mol. Its IUPAC name is 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).

Molecular Properties

• Compound Name: 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)
• PubChem CID: 158974492
• Molecular Formula: C183H179Eu5F15N12O22S5Tb2+8
• Molecular Weight: 4421.48 g/mol
• Exact Mass: 4423.61
• IUPAC Name: 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)
• SMILES: C1=CCC(C2CC=CC=N2)N=C1.C1=CCC(C2CC=CC=N2)N=C1.CCn1c2ccccc2c2cc(C=Cc3ccc(-c4ccc(C=Cc5ccc6c(c5)c5ccccc5n6CC)cc4)cc3)ccc21.O=C(C=C(O)C(F)(F)F)C(F)(F)F.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+3].[Eu].[Eu].[Tb].[Tb].c1ccc(CN2CCOCCOCCN(Cc3ccccc3)CCOCCOCC2)cc1.c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2.c1ccc2c(c1)OCCSCCOc1ccccc1OCCSCCO2.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/C44H36N2.C26H38N2O4.C20H24O6.C20H24O4S2.2C12H8N2.2C10H12N2.3C8H5F3O2S.C5H2F6O2.5Eu.2Tb/c1-3-45-41-11-7-5-9-37(41)39-29-33(21-27-43(39)45)15-13-31-17-23-35(24-18-31)36-25-19-32(20-26-36)14-16-34-22-28-44-40(30-34)38-10-6-8-12-42(38)46(44)4-2;1-3-7-25(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)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18;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;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;6-4(7,8)2(12)1-3(13)5(9,10)11;;;;;;;/h5-30H,3-4H2,1-2H3;1-10H,11-24H2;2*1-8H,9-16H2;2*1-8H;2*1-4,7-10H,5-6H2;3*1-4,13H;1,12H;;;;;;;/q;;;;;;;;;;;;;;+2;2*+3
• InChIKey: KKFAMWKRAATSEF-UHFFFAOYSA-N
• XLogP: 42.41
• TPSA: 395.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 39
• Rotatable Bonds: 20
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4421.48
LogP ≤ 5	42.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	39

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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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)?

The IUPAC name of 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) is 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).

What is the SMILES notation for 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)?

The canonical SMILES for 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) is C1=CCC(C2CC=CC=N2)N=C1.C1=CCC(C2CC=CC=N2)N=C1.CCn1c2ccccc2c2cc(C=Cc3ccc(-c4ccc(C=Cc5ccc6c(c5)c5ccccc5n6CC)cc4)cc3)ccc21.O=C(C=C(O)C(F)(F)F)C(F)(F)F.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+3].[Eu].[Eu].[Tb].[Tb].c1ccc(CN2CCOCCOCCN(Cc3ccccc3)CCOCCOCC2)cc1.c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2.c1ccc2c(c1)OCCSCCOc1ccccc1OCCSCCO2.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of 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)?

The InChIKey is KKFAMWKRAATSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N2.C26H38N2O4.C20H24O6.C20H24O4S2.2C12H8N2.2C10H12N2.3C8H5F3O2S.C5H2F6O2.5Eu.2Tb/c1-3-45-41-11-7-5-9-37(41)39-29-33(21-27-43(39)45)15-13-31-17-23-35(24-18-31)36-25-19-32(20-26-36)14-16-34-22-28-44-40(30-34)38-10-6-8-12-42(38)46(44)4-2;1-3-7-25(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)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18;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;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;6-4(7,8)2(12)1-3(13)5(9,10)11;;;;;;;/h5-30H,3-4H2,1-2H3;1-10H,11-24H2;2*1-8H,9-16H2;2*1-8H;2*1-4,7-10H,5-6H2;3*1-4,13H;1,12H;;;;;;;/q;;;;;;;;;;;;;;+2;2*+3;;.

What are the key properties of 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)?

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) has a molecular weight of 4421.48 g/mol, XLogP of 42.41, 20 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 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) is sourced from PubChem (CID 158974492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).