2-(4a,8a-dihydro-2H-naphthalen-2-id-1-yl)pyridine;dysprosium;europium;bis(4-hydroxypent-3-en-2-one);bis(iridium);1-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(1,10-phenanthroline);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

C98H76DyEuF6Ir2N8O8STb-2 — CID 159497060

IUPAC2-(4a,8a-dihydro-2H-naphthalen-2-id-1-yl)pyridine;dysprosium;europium;bis(4-hydroxypent-3-en-2-one);bis(iridium);1-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(1,10-phenanthroline);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.O=C(C=C(O)c1ccccc1)C(F)(F)F.O=C(C=C(O)c1cccs1)C(F)(F)F.[C-]1=C(c2ccccn2)C2C=CC=CC2C=C1.[Dy].[Eu].[Ir].[Ir].[Tb].[c-]1cc2ccccc2cc1-c1nccc2ccccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C19H12N.C15H12N.3C12H8N2.C10H7F3O2.C8H5F3O2S.2C5H8O2.Dy.Eu.2Ir.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;1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;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;2*1-4(6)3-5(2)7;;;;;/h1-9,11-13H;1-8,10-13H;3*1-8H;1-6,14H;1-4,12H;2*3,6H,1-2H3;;;;;/q2*-1;;;;;;;;;;;;
InChIKeyKCTUWEAJJVDFIV-UHFFFAOYSA-N
MW2497.61 g/mol
LogP23.97
Rot. Bonds8

About 2-(4a,8a-dihydro-2H-naphthalen-2-id-1-yl)pyridine;dysprosium;europium;bis(4-hydroxypent-3-en-2-one);bis(iridium);1-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(1,10-phenanthroline);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-(4a,8a-dihydro-2H-naphthalen-2-id-1-yl)pyridine;dysprosium;europium;bis(4-hydroxypent-3-en-2-one);bis(iridium);1-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(1,10-phenanthroline);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 159497060) has the molecular formula C98H76DyEuF6Ir2N8O8STb-2 and a molecular weight of 2497.61 g/mol. Its IUPAC name is 2-(4a,8a-dihydro-2H-naphthalen-2-id-1-yl)pyridine;dysprosium;europium;bis(4-hydroxypent-3-en-2-one);bis(iridium);1-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(1,10-phenanthroline);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-(4a,8a-dihydro-2H-naphthalen-2-id-1-yl)pyridine;dysprosium;europium;bis(4-hydroxypent-3-en-2-one);bis(iridium);1-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(1,10-phenanthroline);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 CID159497060
Molecular FormulaC98H76DyEuF6Ir2N8O8STb-2
Molecular Weight2497.61 g/mol
Exact Mass2500.24
IUPAC Name2-(4a,8a-dihydro-2H-naphthalen-2-id-1-yl)pyridine;dysprosium;europium;bis(4-hydroxypent-3-en-2-one);bis(iridium);1-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(1,10-phenanthroline);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.O=C(C=C(O)c1ccccc1)C(F)(F)F.O=C(C=C(O)c1cccs1)C(F)(F)F.[C-]1=C(c2ccccn2)C2C=CC=CC2C=C1.[Dy].[Eu].[Ir].[Ir].[Tb].[c-]1cc2ccccc2cc1-c1nccc2ccccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C19H12N.C15H12N.3C12H8N2.C10H7F3O2.C8H5F3O2S.2C5H8O2.Dy.Eu.2Ir.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;1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;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;2*1-4(6)3-5(2)7;;;;;/h1-9,11-13H;1-8,10-13H;3*1-8H;1-6,14H;1-4,12H;2*3,6H,1-2H3;;;;;/q2*-1;;;;;;;;;;;;
InChIKeyKCTUWEAJJVDFIV-UHFFFAOYSA-N
XLogP23.97
TPSA252.32 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002497.61
LogP ≤ 523.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

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'}

Analyze 2-(4a,8a-dihydro-2H-naphthalen-2-id-1-yl)pyridine;dysprosium;europium;bis(4-hydroxypent-3-en-2-one);bis(iridium);1-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(1,10-phenanthroline);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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4a,8a-dihydro-2H-naphthalen-2-id-1-yl)pyridine;dysprosium;europium;bis(4-hydroxypent-3-en-2-one);bis(iridium);1-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(1,10-phenanthroline);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-(4a,8a-dihydro-2H-naphthalen-2-id-1-yl)pyridine;dysprosium;europium;bis(4-hydroxypent-3-en-2-one);bis(iridium);1-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(1,10-phenanthroline);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 159497060) is 2-(4a,8a-dihydro-2H-naphthalen-2-id-1-yl)pyridine;dysprosium;europium;bis(4-hydroxypent-3-en-2-one);bis(iridium);1-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(1,10-phenanthroline);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-(4a,8a-dihydro-2H-naphthalen-2-id-1-yl)pyridine;dysprosium;europium;bis(4-hydroxypent-3-en-2-one);bis(iridium);1-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(1,10-phenanthroline);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-(4a,8a-dihydro-2H-naphthalen-2-id-1-yl)pyridine;dysprosium;europium;bis(4-hydroxypent-3-en-2-one);bis(iridium);1-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(1,10-phenanthroline);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.O=C(C=C(O)c1ccccc1)C(F)(F)F.O=C(C=C(O)c1cccs1)C(F)(F)F.[C-]1=C(c2ccccn2)C2C=CC=CC2C=C1.[Dy].[Eu].[Ir].[Ir].[Tb].[c-]1cc2ccccc2cc1-c1nccc2ccccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 2-(4a,8a-dihydro-2H-naphthalen-2-id-1-yl)pyridine;dysprosium;europium;bis(4-hydroxypent-3-en-2-one);bis(iridium);1-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(1,10-phenanthroline);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 KCTUWEAJJVDFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N.C15H12N.3C12H8N2.C10H7F3O2.C8H5F3O2S.2C5H8O2.Dy.Eu.2Ir.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;1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;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;2*1-4(6)3-5(2)7;;;;;/h1-9,11-13H;1-8,10-13H;3*1-8H;1-6,14H;1-4,12H;2*3,6H,1-2H3;;;;;/q2*-1;;;;;;;;;;;;.
What are the key properties of 2-(4a,8a-dihydro-2H-naphthalen-2-id-1-yl)pyridine;dysprosium;europium;bis(4-hydroxypent-3-en-2-one);bis(iridium);1-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(1,10-phenanthroline);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-(4a,8a-dihydro-2H-naphthalen-2-id-1-yl)pyridine;dysprosium;europium;bis(4-hydroxypent-3-en-2-one);bis(iridium);1-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(1,10-phenanthroline);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 2497.61 g/mol, XLogP of 23.97, 8 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4a,8a-dihydro-2H-naphthalen-2-id-1-yl)pyridine;dysprosium;europium;bis(4-hydroxypent-3-en-2-one);bis(iridium);1-(3H-naphthalen-3-id-2-yl)isoquinoline;tris(1,10-phenanthroline);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 159497060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).