bis(acetonitrile);tetrakis(3,5-dimethylpyrazol-1-ide);bis(gold(1+));bis(platinum(2+));bis(2-pyridin-2-ylpyridine);dihexafluorophosphate

C44H50Au2F12N14P2Pt2 — CID 139168208

About bis(acetonitrile);tetrakis(3,5-dimethylpyrazol-1-ide);bis(gold(1+));bis(platinum(2+));bis(2-pyridin-2-ylpyridine);dihexafluorophosphate

bis(acetonitrile);tetrakis(3,5-dimethylpyrazol-1-ide);bis(gold(1+));bis(platinum(2+));bis(2-pyridin-2-ylpyridine);dihexafluorophosphate (PubChem CID 139168208) has the molecular formula C44H50Au2F12N14P2Pt2 and a molecular weight of 1849.00 g/mol. Its IUPAC name is bis(acetonitrile);tetrakis(3,5-dimethylpyrazol-1-ide);bis(gold(1+));bis(platinum(2+));bis(2-pyridin-2-ylpyridine);dihexafluorophosphate.

Molecular Properties

• Compound Name: bis(acetonitrile);tetrakis(3,5-dimethylpyrazol-1-ide);bis(gold(1+));bis(platinum(2+));bis(2-pyridin-2-ylpyridine);dihexafluorophosphate
• PubChem CID: 139168208
• Molecular Formula: C44H50Au2F12N14P2Pt2
• Molecular Weight: 1849.00 g/mol
• Exact Mass: 1848.23
• IUPAC Name: bis(acetonitrile);tetrakis(3,5-dimethylpyrazol-1-ide);bis(gold(1+));bis(platinum(2+));bis(2-pyridin-2-ylpyridine);dihexafluorophosphate
• SMILES: CC#N.CC#N.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Au+].[Au+].[Pt+2].[Pt+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/2C10H8N2.4C5H7N2.2C2H3N.2Au.2F6P.2Pt/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-4-3-5(2)7-6-4;2*1-2-3;;;2*1-7(2,3,4,5)6;;/h2*1-8H;4*3H,1-2H3;2*1H3;;;;;;/q;;4*-1;;;2*+1;2*-1;2*+2
• InChIKey: VCDOQNHSGQTPAT-UHFFFAOYSA-N
• XLogP: 14.72
• TPSA: 207.10 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 2
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1849.00
LogP ≤ 5	14.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);tetrakis(3,5-dimethylpyrazol-1-ide);bis(gold(1+));bis(platinum(2+));bis(2-pyridin-2-ylpyridine);dihexafluorophosphate?

The IUPAC name of bis(acetonitrile);tetrakis(3,5-dimethylpyrazol-1-ide);bis(gold(1+));bis(platinum(2+));bis(2-pyridin-2-ylpyridine);dihexafluorophosphate (CID 139168208) is bis(acetonitrile);tetrakis(3,5-dimethylpyrazol-1-ide);bis(gold(1+));bis(platinum(2+));bis(2-pyridin-2-ylpyridine);dihexafluorophosphate.

What is the SMILES notation for bis(acetonitrile);tetrakis(3,5-dimethylpyrazol-1-ide);bis(gold(1+));bis(platinum(2+));bis(2-pyridin-2-ylpyridine);dihexafluorophosphate?

The canonical SMILES for bis(acetonitrile);tetrakis(3,5-dimethylpyrazol-1-ide);bis(gold(1+));bis(platinum(2+));bis(2-pyridin-2-ylpyridine);dihexafluorophosphate is CC#N.CC#N.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Au+].[Au+].[Pt+2].[Pt+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of bis(acetonitrile);tetrakis(3,5-dimethylpyrazol-1-ide);bis(gold(1+));bis(platinum(2+));bis(2-pyridin-2-ylpyridine);dihexafluorophosphate?

The InChIKey is VCDOQNHSGQTPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N2.4C5H7N2.2C2H3N.2Au.2F6P.2Pt/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-4-3-5(2)7-6-4;2*1-2-3;;;2*1-7(2,3,4,5)6;;/h2*1-8H;4*3H,1-2H3;2*1H3;;;;;;/q;;4*-1;;;2*+1;2*-1;2*+2.

What are the key properties of bis(acetonitrile);tetrakis(3,5-dimethylpyrazol-1-ide);bis(gold(1+));bis(platinum(2+));bis(2-pyridin-2-ylpyridine);dihexafluorophosphate?

bis(acetonitrile);tetrakis(3,5-dimethylpyrazol-1-ide);bis(gold(1+));bis(platinum(2+));bis(2-pyridin-2-ylpyridine);dihexafluorophosphate has a molecular weight of 1849.00 g/mol, XLogP of 14.72, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(acetonitrile);tetrakis(3,5-dimethylpyrazol-1-ide);bis(gold(1+));bis(platinum(2+));bis(2-pyridin-2-ylpyridine);dihexafluorophosphate is sourced from PubChem (CID 139168208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).