cerium;tetrakis(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;heptakis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);tris(1,10-phenanthroline);terbium

C111H86Ce2Eu3F42N14O14Tb2 — CID 157432516

About cerium;tetrakis(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;heptakis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);tris(1,10-phenanthroline);terbium

cerium;tetrakis(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;heptakis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);tris(1,10-phenanthroline);terbium (PubChem CID 157432516) has the molecular formula C111H86Ce2Eu3F42N14O14Tb2 and a molecular weight of 3691.88 g/mol. Its IUPAC name is cerium;tetrakis(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;heptakis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);tris(1,10-phenanthroline);terbium.

Molecular Properties

• Compound Name: cerium;tetrakis(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;heptakis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);tris(1,10-phenanthroline);terbium
• PubChem CID: 157432516
• Molecular Formula: C111H86Ce2Eu3F42N14O14Tb2
• Molecular Weight: 3691.88 g/mol
• Exact Mass: 3693.00
• IUPAC Name: cerium;tetrakis(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;heptakis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);tris(1,10-phenanthroline);terbium
• SMILES: C1=CCC(C2CC=CC=N2)N=C1.C1=CCC(C2CC=CC=N2)N=C1.C1=CCC(C2CC=CC=N2)N=C1.C1=CCC(C2CC=CC=N2)N=C1.O=C(C=C(O)C(F)(F)F)C(F)(F)F.O=C(C=C(O)C(F)(F)F)C(F)(F)F.O=C(C=C(O)C(F)(F)F)C(F)(F)F.O=C(C=C(O)C(F)(F)F)C(F)(F)F.O=C(C=C(O)C(F)(F)F)C(F)(F)F.O=C(C=C(O)C(F)(F)F)C(F)(F)F.O=C(C=C(O)C(F)(F)F)C(F)(F)F.[Ce].[Ce].[Eu].[Eu].[Eu].[Tb].[Tb].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/3C12H8N2.4C10H12N2.7C5H2F6O2.2Ce.3Eu.2Tb/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;7*6-4(7,8)2(12)1-3(13)5(9,10)11;;;;;;;/h3*1-8H;4*1-4,7-10H,5-6H2;7*1,12H
• InChIKey: JKWYIZAVHXQZTE-UHFFFAOYSA-N
• XLogP: 30.34
• TPSA: 437.32 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 11
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3691.88
LogP ≤ 5	30.34
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

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'}

Frequently Asked Questions

What is the IUPAC name of cerium;tetrakis(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;heptakis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);tris(1,10-phenanthroline);terbium?

The IUPAC name of cerium;tetrakis(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;heptakis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);tris(1,10-phenanthroline);terbium (CID 157432516) is cerium;tetrakis(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;heptakis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);tris(1,10-phenanthroline);terbium.

What is the SMILES notation for cerium;tetrakis(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;heptakis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);tris(1,10-phenanthroline);terbium?

The canonical SMILES for cerium;tetrakis(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;heptakis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);tris(1,10-phenanthroline);terbium is C1=CCC(C2CC=CC=N2)N=C1.C1=CCC(C2CC=CC=N2)N=C1.C1=CCC(C2CC=CC=N2)N=C1.C1=CCC(C2CC=CC=N2)N=C1.O=C(C=C(O)C(F)(F)F)C(F)(F)F.O=C(C=C(O)C(F)(F)F)C(F)(F)F.O=C(C=C(O)C(F)(F)F)C(F)(F)F.O=C(C=C(O)C(F)(F)F)C(F)(F)F.O=C(C=C(O)C(F)(F)F)C(F)(F)F.O=C(C=C(O)C(F)(F)F)C(F)(F)F.O=C(C=C(O)C(F)(F)F)C(F)(F)F.[Ce].[Ce].[Eu].[Eu].[Eu].[Tb].[Tb].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of cerium;tetrakis(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;heptakis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);tris(1,10-phenanthroline);terbium?

The InChIKey is JKWYIZAVHXQZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H8N2.4C10H12N2.7C5H2F6O2.2Ce.3Eu.2Tb/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;7*6-4(7,8)2(12)1-3(13)5(9,10)11;;;;;;;/h3*1-8H;4*1-4,7-10H,5-6H2;7*1,12H;;;;;;;.

What are the key properties of cerium;tetrakis(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;heptakis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);tris(1,10-phenanthroline);terbium?

cerium;tetrakis(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;heptakis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);tris(1,10-phenanthroline);terbium has a molecular weight of 3691.88 g/mol, XLogP of 30.34, 11 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for cerium;tetrakis(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;heptakis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);tris(1,10-phenanthroline);terbium is sourced from PubChem (CID 157432516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).