2-(3H-1-benzothiophen-3-id-2-yl)pyridine;dysprosium;europium;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-(3H-naphthalen-3-id-2-yl)-4a,8a-dihydroisoquinoline;pent-2-ene-2,4-diol;tris(1,10-phenanthroline);1-phenylisoquinoline;2-phenylquinoline;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

C136H112DyEuF6Ir4N10O12S2Tb-4 — CID 161221855

IUPAC2-(3H-1-benzothiophen-3-id-2-yl)pyridine;dysprosium;europium;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-(3H-naphthalen-3-id-2-yl)-4a,8a-dihydroisoquinoline;pent-2-ene-2,4-diol;tris(1,10-phenanthroline);1-phenylisoquinoline;2-phenylquinoline;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
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(O)=CC(C)O.O=C(C=C(O)c1ccccc1)C(F)(F)F.O=C(C=C(O)c1cccs1)C(F)(F)F.[Dy].[Eu].[Ir].[Ir].[Ir].[Ir].[Tb].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1cc2ccccc2cc1C1=NC=CC2C=CC=CC12.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C19H14N.2C15H10N.C13H8NS.3C12H8N2.C10H7F3O2.C8H5F3O2S.C5H10O2.3C5H8O2.Dy.Eu.4Ir.Tb/c1-2-7-16-13-17(10-9-14(16)5-1)19-18-8-4-3-6-15(18)11-12-20-19;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;4*1-4(6)3-5(2)7;;;;;;;/h1-9,11-13,15,18H;1-7,9-11H;1-6,8-11H;1-8H;3*1-8H;1-6,14H;1-4,12H;3-4,6-7H,1-2H3;3*3,6H,1-2H3;;;;;;;/q4*-1;;;;;;;;;;;;;;;;
InChIKeyUSWQPGLDUAUGIG-UHFFFAOYSA-N
MW3498.83 g/mol
LogP33.26
Rot. Bonds12

About 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;dysprosium;europium;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-(3H-naphthalen-3-id-2-yl)-4a,8a-dihydroisoquinoline;pent-2-ene-2,4-diol;tris(1,10-phenanthroline);1-phenylisoquinoline;2-phenylquinoline;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

2-(3H-1-benzothiophen-3-id-2-yl)pyridine;dysprosium;europium;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-(3H-naphthalen-3-id-2-yl)-4a,8a-dihydroisoquinoline;pent-2-ene-2,4-diol;tris(1,10-phenanthroline);1-phenylisoquinoline;2-phenylquinoline;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 (PubChem CID 161221855) has the molecular formula C136H112DyEuF6Ir4N10O12S2Tb-4 and a molecular weight of 3498.83 g/mol. Its IUPAC name is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;dysprosium;europium;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-(3H-naphthalen-3-id-2-yl)-4a,8a-dihydroisoquinoline;pent-2-ene-2,4-diol;tris(1,10-phenanthroline);1-phenylisoquinoline;2-phenylquinoline;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.

Molecular Properties

Compound Name2-(3H-1-benzothiophen-3-id-2-yl)pyridine;dysprosium;europium;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-(3H-naphthalen-3-id-2-yl)-4a,8a-dihydroisoquinoline;pent-2-ene-2,4-diol;tris(1,10-phenanthroline);1-phenylisoquinoline;2-phenylquinoline;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
PubChem CID161221855
Molecular FormulaC136H112DyEuF6Ir4N10O12S2Tb-4
Molecular Weight3498.83 g/mol
Exact Mass3502.41
IUPAC Name2-(3H-1-benzothiophen-3-id-2-yl)pyridine;dysprosium;europium;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-(3H-naphthalen-3-id-2-yl)-4a,8a-dihydroisoquinoline;pent-2-ene-2,4-diol;tris(1,10-phenanthroline);1-phenylisoquinoline;2-phenylquinoline;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
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(O)=CC(C)O.O=C(C=C(O)c1ccccc1)C(F)(F)F.O=C(C=C(O)c1cccs1)C(F)(F)F.[Dy].[Eu].[Ir].[Ir].[Ir].[Ir].[Tb].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1cc2ccccc2cc1C1=NC=CC2C=CC=CC12.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C19H14N.2C15H10N.C13H8NS.3C12H8N2.C10H7F3O2.C8H5F3O2S.C5H10O2.3C5H8O2.Dy.Eu.4Ir.Tb/c1-2-7-16-13-17(10-9-14(16)5-1)19-18-8-4-3-6-15(18)11-12-20-19;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;4*1-4(6)3-5(2)7;;;;;;;/h1-9,11-13,15,18H;1-7,9-11H;1-6,8-11H;1-8H;3*1-8H;1-6,14H;1-4,12H;3-4,6-7H,1-2H3;3*3,6H,1-2H3;;;;;;;/q4*-1;;;;;;;;;;;;;;;;
InChIKeyUSWQPGLDUAUGIG-UHFFFAOYSA-N
XLogP33.26
TPSA355.33 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003498.83
LogP ≤ 533.26
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;dysprosium;europium;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-(3H-naphthalen-3-id-2-yl)-4a,8a-dihydroisoquinoline;pent-2-ene-2,4-diol;tris(1,10-phenanthroline);1-phenylisoquinoline;2-phenylquinoline;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?
The IUPAC name of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;dysprosium;europium;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-(3H-naphthalen-3-id-2-yl)-4a,8a-dihydroisoquinoline;pent-2-ene-2,4-diol;tris(1,10-phenanthroline);1-phenylisoquinoline;2-phenylquinoline;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 161221855) is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;dysprosium;europium;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-(3H-naphthalen-3-id-2-yl)-4a,8a-dihydroisoquinoline;pent-2-ene-2,4-diol;tris(1,10-phenanthroline);1-phenylisoquinoline;2-phenylquinoline;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.
What is the SMILES notation for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;dysprosium;europium;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-(3H-naphthalen-3-id-2-yl)-4a,8a-dihydroisoquinoline;pent-2-ene-2,4-diol;tris(1,10-phenanthroline);1-phenylisoquinoline;2-phenylquinoline;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?
The canonical SMILES for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;dysprosium;europium;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-(3H-naphthalen-3-id-2-yl)-4a,8a-dihydroisoquinoline;pent-2-ene-2,4-diol;tris(1,10-phenanthroline);1-phenylisoquinoline;2-phenylquinoline;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 is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(O)=CC(C)O.O=C(C=C(O)c1ccccc1)C(F)(F)F.O=C(C=C(O)c1cccs1)C(F)(F)F.[Dy].[Eu].[Ir].[Ir].[Ir].[Ir].[Tb].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1cc2ccccc2cc1C1=NC=CC2C=CC=CC12.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;dysprosium;europium;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-(3H-naphthalen-3-id-2-yl)-4a,8a-dihydroisoquinoline;pent-2-ene-2,4-diol;tris(1,10-phenanthroline);1-phenylisoquinoline;2-phenylquinoline;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?
The InChIKey is USWQPGLDUAUGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N.2C15H10N.C13H8NS.3C12H8N2.C10H7F3O2.C8H5F3O2S.C5H10O2.3C5H8O2.Dy.Eu.4Ir.Tb/c1-2-7-16-13-17(10-9-14(16)5-1)19-18-8-4-3-6-15(18)11-12-20-19;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;4*1-4(6)3-5(2)7;;;;;;;/h1-9,11-13,15,18H;1-7,9-11H;1-6,8-11H;1-8H;3*1-8H;1-6,14H;1-4,12H;3-4,6-7H,1-2H3;3*3,6H,1-2H3;;;;;;;/q4*-1;;;;;;;;;;;;;;;;.
What are the key properties of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;dysprosium;europium;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-(3H-naphthalen-3-id-2-yl)-4a,8a-dihydroisoquinoline;pent-2-ene-2,4-diol;tris(1,10-phenanthroline);1-phenylisoquinoline;2-phenylquinoline;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?
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;dysprosium;europium;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-(3H-naphthalen-3-id-2-yl)-4a,8a-dihydroisoquinoline;pent-2-ene-2,4-diol;tris(1,10-phenanthroline);1-phenylisoquinoline;2-phenylquinoline;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 has a molecular weight of 3498.83 g/mol, XLogP of 33.26, 12 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;dysprosium;europium;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);1-(3H-naphthalen-3-id-2-yl)-4a,8a-dihydroisoquinoline;pent-2-ene-2,4-diol;tris(1,10-phenanthroline);1-phenylisoquinoline;2-phenylquinoline;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 is sourced from PubChem (CID 161221855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).