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

C88H72Eu2N4O8S6 — CID 161177051

IUPAC3,8-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
SMILESC.C.Cc1ccc(-c2ccc(-c3cnc4c(ccc5cc(-c6ccc(-c7ccc(C)s7)s6)cnc54)c3)s2)s1.Cc1sc(-c2cnc3c(ccc4cc(-c5sc(C)c6c5OCCO6)cnc43)c2)c2c1OCCO2.O=C(C=C(O)c1ccccc1)c1ccccc1.O=C(C=C(O)c1ccccc1)c1ccccc1.[Eu].[Eu]
InChIInChI=1S/C30H20N2S4.C26H20N2O4S2.2C15H12O2.2CH4.2Eu/c1-17-3-7-25(33-17)27-11-9-23(35-27)21-13-19-5-6-20-14-22(16-32-30(20)29(19)31-15-21)24-10-12-28(36-24)26-8-4-18(2)34-26;1-13-21-23(31-7-5-29-21)25(33-13)17-9-15-3-4-16-10-18(12-28-20(16)19(15)27-11-17)26-24-22(14(2)34-26)30-6-8-32-24;2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;;;/h3-16H,1-2H3;3-4,9-12H,5-8H2,1-2H3;2*1-11,16H;2*1H4;;
InChIKeyXYRDDTADMSFHRV-UHFFFAOYSA-N
MW1809.89 g/mol
LogP24.92
Rot. Bonds12

About 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

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 (PubChem CID 161177051) has the molecular formula C88H72Eu2N4O8S6 and a molecular weight of 1809.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,8-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
PubChem CID161177051
Molecular FormulaC88H72Eu2N4O8S6
Molecular Weight1809.89 g/mol
Exact Mass1810.21
IUPAC Name3,8-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
SMILESC.C.Cc1ccc(-c2ccc(-c3cnc4c(ccc5cc(-c6ccc(-c7ccc(C)s7)s6)cnc54)c3)s2)s1.Cc1sc(-c2cnc3c(ccc4cc(-c5sc(C)c6c5OCCO6)cnc43)c2)c2c1OCCO2.O=C(C=C(O)c1ccccc1)c1ccccc1.O=C(C=C(O)c1ccccc1)c1ccccc1.[Eu].[Eu]
InChIInChI=1S/C30H20N2S4.C26H20N2O4S2.2C15H12O2.2CH4.2Eu/c1-17-3-7-25(33-17)27-11-9-23(35-27)21-13-19-5-6-20-14-22(16-32-30(20)29(19)31-15-21)24-10-12-28(36-24)26-8-4-18(2)34-26;1-13-21-23(31-7-5-29-21)25(33-13)17-9-15-3-4-16-10-18(12-28-20(16)19(15)27-11-17)26-24-22(14(2)34-26)30-6-8-32-24;2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;;;/h3-16H,1-2H3;3-4,9-12H,5-8H2,1-2H3;2*1-11,16H;2*1H4;;
InChIKeyXYRDDTADMSFHRV-UHFFFAOYSA-N
XLogP24.92
TPSA163.08 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001809.89
LogP ≤ 524.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

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 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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;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
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
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
3,8-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,10-phenanthroline;europium;(Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one
CID 57603909
7-[2-[4-[5-(2,1,3-Benzothiadiazol-4-yl)thiophen-2-yl]-2-pyridinyl]-6-[6-[4-[5-(2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]-2-pyridinyl]-4-(5-carboxy-2,3,7,7a-tetrahydrothieno[3,4-b][1,4]dioxin-7-yl)-2-pyridinyl]-4-pyridinyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid
CID 88968280
2-[4-Carboxy-6-[7-[7-(2,3-diethyl-1-phenyl-2,3-dihydroindol-6-yl)-2,1,3-benzothiadiazol-4-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2-pyridinyl]-6-[7-[7-(3-ethyl-2-methyl-1-phenyl-2,3-dihydroindol-6-yl)-2,1,3-benzothiadiazol-4-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]pyridine-4-carboxylic acid
CID 123309528
4,7-Bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline;4,7-bis(4-dibenzofuran-4-ylphenyl)-1,10-phenanthroline;4,7-bis(4-dibenzothiophen-2-ylphenyl)-1,10-phenanthroline
CID 157680378
6,11-Di(dibenzofuran-4-yl)phenanthro[9,10-b]pyrazine;6,11-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;7,10-di(dibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine;3-(6-phenyldibenzothiophen-4-yl)phenanthro[9,10-b]pyrazine
CID 158110632
3-(3-Dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 158588044
3,5-Bis(3-dibenzofuran-4-ylphenyl)pyridine;3,5-bis(3-dibenzothiophen-4-ylphenyl)pyridine;4,7-diphenyl-1,10-phenanthroline;iridium;2-phenylpyridine
CID 158598617
CID 158824863
CID 158824863

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.Cc1ccc(-c2ccc(-c3cnc4c(ccc5cc(-c6ccc(-c7ccc(C)s7)s6)cnc54)c3)s2)s1.Cc1sc(-c2cnc3c(ccc4cc(-c5sc(C)c6c5OCCO6)cnc43)c2)c2c1OCCO2.O=C(C=C(O)c1ccccc1)c1ccccc1.O=C(C=C(O)c1ccccc1)c1ccccc1.[Eu].[Eu].
What is the InChIKey of 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?
The InChIKey is XYRDDTADMSFHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2S4.C26H20N2O4S2.2C15H12O2.2CH4.2Eu/c1-17-3-7-25(33-17)27-11-9-23(35-27)21-13-19-5-6-20-14-22(16-32-30(20)29(19)31-15-21)24-10-12-28(36-24)26-8-4-18(2)34-26;1-13-21-23(31-7-5-29-21)25(33-13)17-9-15-3-4-16-10-18(12-28-20(16)19(15)27-11-17)26-24-22(14(2)34-26)30-6-8-32-24;2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;;;/h3-16H,1-2H3;3-4,9-12H,5-8H2,1-2H3;2*1-11,16H;2*1H4;;.
What are the key properties of 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?
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 has a molecular weight of 1809.89 g/mol, XLogP of 24.92, 12 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161177051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).