heptakis(acetonitrile);tris(1-(4-imidazol-1-ylphenyl)imidazole);tris(palladium(2+));tris(2-pyridin-2-ylpyridine);hexahexafluorophosphate

C80H75F36N25P6Pd3 — CID 139062920

About heptakis(acetonitrile);tris(1-(4-imidazol-1-ylphenyl)imidazole);tris(palladium(2+));tris(2-pyridin-2-ylpyridine);hexahexafluorophosphate

heptakis(acetonitrile);tris(1-(4-imidazol-1-ylphenyl)imidazole);tris(palladium(2+));tris(2-pyridin-2-ylpyridine);hexahexafluorophosphate (PubChem CID 139062920) has the molecular formula C80H75F36N25P6Pd3 and a molecular weight of 2575.69 g/mol. Its IUPAC name is heptakis(acetonitrile);tris(1-(4-imidazol-1-ylphenyl)imidazole);tris(palladium(2+));tris(2-pyridin-2-ylpyridine);hexahexafluorophosphate.

Molecular Properties

• Compound Name: heptakis(acetonitrile);tris(1-(4-imidazol-1-ylphenyl)imidazole);tris(palladium(2+));tris(2-pyridin-2-ylpyridine);hexahexafluorophosphate
• PubChem CID: 139062920
• Molecular Formula: C80H75F36N25P6Pd3
• Molecular Weight: 2575.69 g/mol
• Exact Mass: 2573.16
• IUPAC Name: heptakis(acetonitrile);tris(1-(4-imidazol-1-ylphenyl)imidazole);tris(palladium(2+));tris(2-pyridin-2-ylpyridine);hexahexafluorophosphate
• SMILES: CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Pd+2].[Pd+2].[Pd+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cn(-c2ccc(-n3ccnc3)cc2)cn1.c1cn(-c2ccc(-n3ccnc3)cc2)cn1.c1cn(-c2ccc(-n3ccnc3)cc2)cn1
• InChI: InChI=1S/3C12H10N4.3C10H8N2.7C2H3N.6F6P.3Pd/c3*1-2-12(16-8-6-14-10-16)4-3-11(1)15-7-5-13-9-15;3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;7*1-2-3;6*1-7(2,3,4,5)6;;;/h3*1-10H;3*1-8H;7*1H3;;;;;;;;;/q;;;;;;;;;;;;;6*-1;3*+2
• InChIKey: LFWNGRAKBPKHQD-UHFFFAOYSA-N
• XLogP: 36.60
• TPSA: 350.79 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 9
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2575.69
LogP ≤ 5	36.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of heptakis(acetonitrile);tris(1-(4-imidazol-1-ylphenyl)imidazole);tris(palladium(2+));tris(2-pyridin-2-ylpyridine);hexahexafluorophosphate?

The IUPAC name of heptakis(acetonitrile);tris(1-(4-imidazol-1-ylphenyl)imidazole);tris(palladium(2+));tris(2-pyridin-2-ylpyridine);hexahexafluorophosphate (CID 139062920) is heptakis(acetonitrile);tris(1-(4-imidazol-1-ylphenyl)imidazole);tris(palladium(2+));tris(2-pyridin-2-ylpyridine);hexahexafluorophosphate.

What is the SMILES notation for heptakis(acetonitrile);tris(1-(4-imidazol-1-ylphenyl)imidazole);tris(palladium(2+));tris(2-pyridin-2-ylpyridine);hexahexafluorophosphate?

The canonical SMILES for heptakis(acetonitrile);tris(1-(4-imidazol-1-ylphenyl)imidazole);tris(palladium(2+));tris(2-pyridin-2-ylpyridine);hexahexafluorophosphate is CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Pd+2].[Pd+2].[Pd+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cn(-c2ccc(-n3ccnc3)cc2)cn1.c1cn(-c2ccc(-n3ccnc3)cc2)cn1.c1cn(-c2ccc(-n3ccnc3)cc2)cn1.

What is the InChIKey of heptakis(acetonitrile);tris(1-(4-imidazol-1-ylphenyl)imidazole);tris(palladium(2+));tris(2-pyridin-2-ylpyridine);hexahexafluorophosphate?

The InChIKey is LFWNGRAKBPKHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H10N4.3C10H8N2.7C2H3N.6F6P.3Pd/c3*1-2-12(16-8-6-14-10-16)4-3-11(1)15-7-5-13-9-15;3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;7*1-2-3;6*1-7(2,3,4,5)6;;;/h3*1-10H;3*1-8H;7*1H3;;;;;;;;;/q;;;;;;;;;;;;;6*-1;3*+2.

What are the key properties of heptakis(acetonitrile);tris(1-(4-imidazol-1-ylphenyl)imidazole);tris(palladium(2+));tris(2-pyridin-2-ylpyridine);hexahexafluorophosphate?

heptakis(acetonitrile);tris(1-(4-imidazol-1-ylphenyl)imidazole);tris(palladium(2+));tris(2-pyridin-2-ylpyridine);hexahexafluorophosphate has a molecular weight of 2575.69 g/mol, XLogP of 36.60, 9 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for heptakis(acetonitrile);tris(1-(4-imidazol-1-ylphenyl)imidazole);tris(palladium(2+));tris(2-pyridin-2-ylpyridine);hexahexafluorophosphate is sourced from PubChem (CID 139062920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).