4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);ditetrafluoroborate

C34H36B2F8N10Ru — CID 139034364

About 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);ditetrafluoroborate

4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);ditetrafluoroborate (PubChem CID 139034364) has the molecular formula C34H36B2F8N10Ru and a molecular weight of 859.41 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);ditetrafluoroborate.

Molecular Properties

• Compound Name: 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);ditetrafluoroborate
• PubChem CID: 139034364
• Molecular Formula: C34H36B2F8N10Ru
• Molecular Weight: 859.41 g/mol
• Exact Mass: 860.22
• IUPAC Name: 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);ditetrafluoroborate
• SMILES: CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.F[B-](F)(F)F.F[B-](F)(F)F.[Ru+2].c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1
• InChI: InChI=1S/C18H24N2.2C8H6N4.2BF4.Ru/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*1-3-11-7(5-9-1)8-6-10-2-4-12-8;2*2-1(3,4)5;/h7-12H,1-6H3;2*1-6H;;;/q;;;2*-1;+2
• InChIKey: BDRMITMDDXWSRN-UHFFFAOYSA-N
• XLogP: 9.20
• TPSA: 128.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	859.41
LogP ≤ 5	9.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'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;bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);ditetrafluoroborate?

The IUPAC name of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);ditetrafluoroborate (CID 139034364) is 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);ditetrafluoroborate.

What is the SMILES notation for 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);ditetrafluoroborate?

The canonical SMILES for 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);ditetrafluoroborate is CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.F[B-](F)(F)F.F[B-](F)(F)F.[Ru+2].c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1.

What is the InChIKey of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);ditetrafluoroborate?

The InChIKey is BDRMITMDDXWSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2.2C8H6N4.2BF4.Ru/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*1-3-11-7(5-9-1)8-6-10-2-4-12-8;2*2-1(3,4)5;/h7-12H,1-6H3;2*1-6H;;;/q;;;2*-1;+2.

What are the key properties of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);ditetrafluoroborate?

4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);ditetrafluoroborate has a molecular weight of 859.41 g/mol, XLogP of 9.20, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium(2+);ditetrafluoroborate is sourced from PubChem (CID 139034364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).