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

C81H72CeCl8Eu3F12N12O6Tb2 — CID 157166475

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

cerium;tris(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;europium(2+);europium(3+);bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxypent-3-en-2-one;tris(1,10-phenanthroline);terbium;terbium(3+);octachloride (PubChem CID 157166475) has the molecular formula C81H72CeCl8Eu3F12N12O6Tb2 and a molecular weight of 2735.00 g/mol. Its IUPAC name is cerium;tris(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;europium(2+);europium(3+);bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxypent-3-en-2-one;tris(1,10-phenanthroline);terbium;terbium(3+);octachloride.

Molecular Properties

• Compound Name: cerium;tris(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;europium(2+);europium(3+);bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxypent-3-en-2-one;tris(1,10-phenanthroline);terbium;terbium(3+);octachloride
• PubChem CID: 157166475
• Molecular Formula: C81H72CeCl8Eu3F12N12O6Tb2
• Molecular Weight: 2735.00 g/mol
• Exact Mass: 2732.82
• IUPAC Name: cerium;tris(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;europium(2+);europium(3+);bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxypent-3-en-2-one;tris(1,10-phenanthroline);terbium;terbium(3+);octachloride
• SMILES: C1=CCC(C2CC=CC=N2)N=C1.C1=CCC(C2CC=CC=N2)N=C1.C1=CCC(C2CC=CC=N2)N=C1.CC(=O)C=C(C)O.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].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Eu+2].[Eu+3].[Eu].[Tb+3].[Tb].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/3C12H8N2.3C10H12N2.2C5H2F6O2.C5H8O2.Ce.8ClH.3Eu.2Tb/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*6-4(7,8)2(12)1-3(13)5(9,10)11;1-4(6)3-5(2)7;;;;;;;;;;;;;;/h3*1-8H;3*1-4,7-10H,5-6H2;2*1,12H;3,6H,1-2H3;;8*1H;;;;;/q;;;;;;;;;;;;;;;;;;;+2;+3;;+3/p-8
• InChIKey: KNXKWYUEYDWSSI-UHFFFAOYSA-F
• XLogP: -4.98
• TPSA: 263.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2735.00
LogP ≤ 5	-4.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

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;tris(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;europium(2+);europium(3+);bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxypent-3-en-2-one;tris(1,10-phenanthroline);terbium;terbium(3+);octachloride?

The IUPAC name of cerium;tris(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;europium(2+);europium(3+);bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxypent-3-en-2-one;tris(1,10-phenanthroline);terbium;terbium(3+);octachloride (CID 157166475) is cerium;tris(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;europium(2+);europium(3+);bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxypent-3-en-2-one;tris(1,10-phenanthroline);terbium;terbium(3+);octachloride.

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

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

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

The InChIKey is KNXKWYUEYDWSSI-UHFFFAOYSA-F. The full InChI is InChI=1S/3C12H8N2.3C10H12N2.2C5H2F6O2.C5H8O2.Ce.8ClH.3Eu.2Tb/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*6-4(7,8)2(12)1-3(13)5(9,10)11;1-4(6)3-5(2)7;;;;;;;;;;;;;;/h3*1-8H;3*1-4,7-10H,5-6H2;2*1,12H;3,6H,1-2H3;;8*1H;;;;;/q;;;;;;;;;;;;;;;;;;;+2;+3;;+3/p-8.

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

cerium;tris(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;europium(2+);europium(3+);bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxypent-3-en-2-one;tris(1,10-phenanthroline);terbium;terbium(3+);octachloride has a molecular weight of 2735.00 g/mol, XLogP of -4.98, 6 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for cerium;tris(2-(2,3-dihydropyridin-2-yl)-2,3-dihydropyridine);europium;europium(2+);europium(3+);bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxypent-3-en-2-one;tris(1,10-phenanthroline);terbium;terbium(3+);octachloride is sourced from PubChem (CID 157166475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).