bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate);bis(rhodium(2+));bis(ruthenium(2+));bis(tetraphenylboranuide);diacetate;ditetrafluoroborate

C130H102B4F8N14O8Rh2Ru2 — CID 139117966

About bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate);bis(rhodium(2+));bis(ruthenium(2+));bis(tetraphenylboranuide);diacetate;ditetrafluoroborate

bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate);bis(rhodium(2+));bis(ruthenium(2+));bis(tetraphenylboranuide);diacetate;ditetrafluoroborate (PubChem CID 139117966) has the molecular formula C130H102B4F8N14O8Rh2Ru2 and a molecular weight of 2591.52 g/mol. Its IUPAC name is bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate);bis(rhodium(2+));bis(ruthenium(2+));bis(tetraphenylboranuide);diacetate;ditetrafluoroborate.

Molecular Properties

• Compound Name: bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate);bis(rhodium(2+));bis(ruthenium(2+));bis(tetraphenylboranuide);diacetate;ditetrafluoroborate
• PubChem CID: 139117966
• Molecular Formula: C130H102B4F8N14O8Rh2Ru2
• Molecular Weight: 2591.52 g/mol
• Exact Mass: 2592.44
• IUPAC Name: bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate);bis(rhodium(2+));bis(ruthenium(2+));bis(tetraphenylboranuide);diacetate;ditetrafluoroborate
• SMILES: CC#N.CC#N.CC(=O)[O-].CC(=O)[O-].F[B-](F)(F)F.F[B-](F)(F)F.O=C([O-])c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.O=C([O-])c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Rh+2].[Rh+2].[Ru+2].[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C24H20B.2C22H15N3O2.2C15H11N3.2C2H3N.2C2H4O2.2BF4.2Rh.2Ru/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*26-22(27)16-9-7-15(8-10-16)17-13-20(18-5-1-3-11-23-18)25-21(14-17)19-6-2-4-12-24-19;2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*1-2-3;2*1-2(3)4;2*2-1(3,4)5;;;;/h2*1-20H;2*1-14H,(H,26,27);2*1-11H;2*1H3;2*1H3,(H,3,4);;;;;;/q2*-1;;;;;;;;;2*-1;4*+2/p-4
• InChIKey: WXKOOVGZYSVZKT-UHFFFAOYSA-J
• XLogP: 20.17
• TPSA: 362.78 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2591.52
LogP ≤ 5	20.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate);bis(rhodium(2+));bis(ruthenium(2+));bis(tetraphenylboranuide);diacetate;ditetrafluoroborate?

The IUPAC name of bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate);bis(rhodium(2+));bis(ruthenium(2+));bis(tetraphenylboranuide);diacetate;ditetrafluoroborate (CID 139117966) is bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate);bis(rhodium(2+));bis(ruthenium(2+));bis(tetraphenylboranuide);diacetate;ditetrafluoroborate.

What is the SMILES notation for bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate);bis(rhodium(2+));bis(ruthenium(2+));bis(tetraphenylboranuide);diacetate;ditetrafluoroborate?

The canonical SMILES for bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate);bis(rhodium(2+));bis(ruthenium(2+));bis(tetraphenylboranuide);diacetate;ditetrafluoroborate is CC#N.CC#N.CC(=O)[O-].CC(=O)[O-].F[B-](F)(F)F.F[B-](F)(F)F.O=C([O-])c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.O=C([O-])c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Rh+2].[Rh+2].[Ru+2].[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate);bis(rhodium(2+));bis(ruthenium(2+));bis(tetraphenylboranuide);diacetate;ditetrafluoroborate?

The InChIKey is WXKOOVGZYSVZKT-UHFFFAOYSA-J. The full InChI is InChI=1S/2C24H20B.2C22H15N3O2.2C15H11N3.2C2H3N.2C2H4O2.2BF4.2Rh.2Ru/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*26-22(27)16-9-7-15(8-10-16)17-13-20(18-5-1-3-11-23-18)25-21(14-17)19-6-2-4-12-24-19;2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*1-2-3;2*1-2(3)4;2*2-1(3,4)5;;;;/h2*1-20H;2*1-14H,(H,26,27);2*1-11H;2*1H3;2*1H3,(H,3,4);;;;;;/q2*-1;;;;;;;;;2*-1;4*+2/p-4.

What are the key properties of bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate);bis(rhodium(2+));bis(ruthenium(2+));bis(tetraphenylboranuide);diacetate;ditetrafluoroborate?

bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate);bis(rhodium(2+));bis(ruthenium(2+));bis(tetraphenylboranuide);diacetate;ditetrafluoroborate has a molecular weight of 2591.52 g/mol, XLogP of 20.17, 20 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate);bis(rhodium(2+));bis(ruthenium(2+));bis(tetraphenylboranuide);diacetate;ditetrafluoroborate is sourced from PubChem (CID 139117966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).