bis(acetonitrile);carbamimidoylazanide;bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));trihexafluorophosphate

C35H32F18N11P3Pt2 — CID 139065292

About bis(acetonitrile);carbamimidoylazanide;bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));trihexafluorophosphate

bis(acetonitrile);carbamimidoylazanide;bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));trihexafluorophosphate (PubChem CID 139065292) has the molecular formula C35H32F18N11P3Pt2 and a molecular weight of 1431.76 g/mol. Its IUPAC name is bis(acetonitrile);carbamimidoylazanide;bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));trihexafluorophosphate.

Molecular Properties

• Compound Name: bis(acetonitrile);carbamimidoylazanide;bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));trihexafluorophosphate
• PubChem CID: 139065292
• Molecular Formula: C35H32F18N11P3Pt2
• Molecular Weight: 1431.76 g/mol
• Exact Mass: 1431.11
• IUPAC Name: bis(acetonitrile);carbamimidoylazanide;bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));trihexafluorophosphate
• SMILES: 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.[H]/N=C(\[NH-])N.[Pt+2].[Pt+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
• InChI: InChI=1S/2C15H11N3.2C2H3N.CH4N3.3F6P.2Pt/c2*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(3)4;3*1-7(2,3,4,5)6;;/h2*1-11H;2*1H3;(H4-,2,3,4);;;;;/q;;;;4*-1;2*+2
• InChIKey: HCZNSHKRRSVACO-UHFFFAOYSA-N
• XLogP: 17.55
• TPSA: 198.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1431.76
LogP ≤ 5	17.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);carbamimidoylazanide;bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));trihexafluorophosphate?

The IUPAC name of bis(acetonitrile);carbamimidoylazanide;bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));trihexafluorophosphate (CID 139065292) is bis(acetonitrile);carbamimidoylazanide;bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));trihexafluorophosphate.

What is the SMILES notation for bis(acetonitrile);carbamimidoylazanide;bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));trihexafluorophosphate?

The canonical SMILES for bis(acetonitrile);carbamimidoylazanide;bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));trihexafluorophosphate is 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.[H]/N=C(\[NH-])N.[Pt+2].[Pt+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.

What is the InChIKey of bis(acetonitrile);carbamimidoylazanide;bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));trihexafluorophosphate?

The InChIKey is HCZNSHKRRSVACO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H11N3.2C2H3N.CH4N3.3F6P.2Pt/c2*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(3)4;3*1-7(2,3,4,5)6;;/h2*1-11H;2*1H3;(H4-,2,3,4);;;;;/q;;;;4*-1;2*+2.

What are the key properties of bis(acetonitrile);carbamimidoylazanide;bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));trihexafluorophosphate?

bis(acetonitrile);carbamimidoylazanide;bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));trihexafluorophosphate has a molecular weight of 1431.76 g/mol, XLogP of 17.55, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for bis(acetonitrile);carbamimidoylazanide;bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));trihexafluorophosphate is sourced from PubChem (CID 139065292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).