4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;cerium(3+);tris((2,3,4,5,6-pentafluorophenyl)-trimethylsilylazanide)

C45H51CeF15N5Si3 — CID 139184382

About 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;cerium(3+);tris((2,3,4,5,6-pentafluorophenyl)-trimethylsilylazanide)

4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;cerium(3+);tris((2,3,4,5,6-pentafluorophenyl)-trimethylsilylazanide) (PubChem CID 139184382) has the molecular formula C45H51CeF15N5Si3 and a molecular weight of 1171.28 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;cerium(3+);tris((2,3,4,5,6-pentafluorophenyl)-trimethylsilylazanide).

Molecular Properties

• Compound Name: 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;cerium(3+);tris((2,3,4,5,6-pentafluorophenyl)-trimethylsilylazanide)
• PubChem CID: 139184382
• Molecular Formula: C45H51CeF15N5Si3
• Molecular Weight: 1171.28 g/mol
• Exact Mass: 1170.23
• IUPAC Name: 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;cerium(3+);tris((2,3,4,5,6-pentafluorophenyl)-trimethylsilylazanide)
• SMILES: CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.C[Si](C)(C)[N-]c1c(F)c(F)c(F)c(F)c1F.C[Si](C)(C)[N-]c1c(F)c(F)c(F)c(F)c1F.C[Si](C)(C)[N-]c1c(F)c(F)c(F)c(F)c1F.[Ce+3]
• InChI: InChI=1S/C18H24N2.3C9H9F5NSi.Ce/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;3*1-16(2,3)15-9-7(13)5(11)4(10)6(12)8(9)14;/h7-12H,1-6H3;3*1-3H3;/q;3*-1;+3
• InChIKey: GGTYLYOGJPATQQ-UHFFFAOYSA-N
• XLogP: 17.41
• TPSA: 68.08 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1171.28
LogP ≤ 5	17.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;cerium(3+);tris((2,3,4,5,6-pentafluorophenyl)-trimethylsilylazanide)?

The IUPAC name of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;cerium(3+);tris((2,3,4,5,6-pentafluorophenyl)-trimethylsilylazanide) (CID 139184382) is 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;cerium(3+);tris((2,3,4,5,6-pentafluorophenyl)-trimethylsilylazanide).

What is the SMILES notation for 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;cerium(3+);tris((2,3,4,5,6-pentafluorophenyl)-trimethylsilylazanide)?

The canonical SMILES for 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;cerium(3+);tris((2,3,4,5,6-pentafluorophenyl)-trimethylsilylazanide) is CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.C[Si](C)(C)[N-]c1c(F)c(F)c(F)c(F)c1F.C[Si](C)(C)[N-]c1c(F)c(F)c(F)c(F)c1F.C[Si](C)(C)[N-]c1c(F)c(F)c(F)c(F)c1F.[Ce+3].

What is the InChIKey of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;cerium(3+);tris((2,3,4,5,6-pentafluorophenyl)-trimethylsilylazanide)?

The InChIKey is GGTYLYOGJPATQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2.3C9H9F5NSi.Ce/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;3*1-16(2,3)15-9-7(13)5(11)4(10)6(12)8(9)14;/h7-12H,1-6H3;3*1-3H3;/q;3*-1;+3.

What are the key properties of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;cerium(3+);tris((2,3,4,5,6-pentafluorophenyl)-trimethylsilylazanide)?

4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;cerium(3+);tris((2,3,4,5,6-pentafluorophenyl)-trimethylsilylazanide) has a molecular weight of 1171.28 g/mol, XLogP of 17.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;cerium(3+);tris((2,3,4,5,6-pentafluorophenyl)-trimethylsilylazanide) is sourced from PubChem (CID 139184382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).