Tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide

C₆₄H₅₂BMo₂N₁₂ — CID 139127431

About Tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide

Tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide (PubChem CID 139127431) has the molecular formula C₆₄H₅₂BMo₂N₁₂ and a molecular weight of 1191.90 g/mol. Its IUPAC name is tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide.

Molecular Properties

• Compound Name: Tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide
• PubChem CID: 139127431
• Molecular Formula: C₆₄H₅₂BMo₂N₁₂
• Molecular Weight: 1191.90 g/mol
• Exact Mass: 1195.26
• IUPAC Name: tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide
• SMILES: [Mo+2].[Mo+3].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1
• InChI: InChI=1S/C24H20B.4C10H8N3.2Mo/c1-5-13-21(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;4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;;/h1-20H;4*1-8H;;/q5*-1;+2;+3
• InChIKey: VARHGBPVINGTGW-UHFFFAOYSA-N
• XLogP: 14.31
• TPSA: 159.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1191.90
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide?

The IUPAC name of Tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide (CID 139127431) is tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide.

What is the SMILES notation for Tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide?

The canonical SMILES for Tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide is [Mo+2].[Mo+3].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.

What is the InChIKey of Tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide?

The InChIKey is VARHGBPVINGTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20B.4C10H8N3.2Mo/c1-5-13-21(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;4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;;/h1-20H;4*1-8H;;/q5*-1;+2;+3.

What are the key properties of Tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide?

Tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide has a molecular weight of 1191.90 g/mol, XLogP of 14.31, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide is sourced from PubChem (CID 139127431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139127431 — identifiers, structure, computed properties (public domain)

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