bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);molybdenum;tris(oxygen(2-));bis(tetraphenylboranuide)

C86H76B2Mo2N6O5-10 — CID 139148858

About bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);molybdenum;tris(oxygen(2-));bis(tetraphenylboranuide)

bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);molybdenum;tris(oxygen(2-));bis(tetraphenylboranuide) (PubChem CID 139148858) has the molecular formula C86H76B2Mo2N6O5-10 and a molecular weight of 1487.10 g/mol. Its IUPAC name is bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);molybdenum;tris(oxygen(2-));bis(tetraphenylboranuide).

Molecular Properties

• Compound Name: bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);molybdenum;tris(oxygen(2-));bis(tetraphenylboranuide)
• PubChem CID: 139148858
• Molecular Formula: C86H76B2Mo2N6O5-10
• Molecular Weight: 1487.10 g/mol
• Exact Mass: 1490.42
• IUPAC Name: bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);molybdenum;tris(oxygen(2-));bis(tetraphenylboranuide)
• SMILES: [Mo].[Mo].[O-2].[O-2].[O-2].[O-]c1ccccc1CN(Cc1ccccn1)Cc1ccccn1.[O-]c1ccccc1CN(Cc1ccccn1)Cc1ccccn1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C24H20B.2C19H19N3O.2Mo.3O/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*23-19-10-2-1-7-16(19)13-22(14-17-8-3-5-11-20-17)15-18-9-4-6-12-21-18;;;;;/h2*1-20H;2*1-12,23H,13-15H2;;;;;/q2*-1;;;;;3*-2/p-2
• InChIKey: ZKMLPQFBWUXSFQ-UHFFFAOYSA-L
• XLogP: 11.27
• TPSA: 189.66 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 20
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1487.10
LogP ≤ 5	11.27
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 bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);molybdenum;tris(oxygen(2-));bis(tetraphenylboranuide)?

The IUPAC name of bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);molybdenum;tris(oxygen(2-));bis(tetraphenylboranuide) (CID 139148858) is bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);molybdenum;tris(oxygen(2-));bis(tetraphenylboranuide).

What is the SMILES notation for bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);molybdenum;tris(oxygen(2-));bis(tetraphenylboranuide)?

The canonical SMILES for bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);molybdenum;tris(oxygen(2-));bis(tetraphenylboranuide) is [Mo].[Mo].[O-2].[O-2].[O-2].[O-]c1ccccc1CN(Cc1ccccn1)Cc1ccccn1.[O-]c1ccccc1CN(Cc1ccccn1)Cc1ccccn1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);molybdenum;tris(oxygen(2-));bis(tetraphenylboranuide)?

The InChIKey is ZKMLPQFBWUXSFQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C24H20B.2C19H19N3O.2Mo.3O/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*23-19-10-2-1-7-16(19)13-22(14-17-8-3-5-11-20-17)15-18-9-4-6-12-21-18;;;;;/h2*1-20H;2*1-12,23H,13-15H2;;;;;/q2*-1;;;;;3*-2/p-2.

What are the key properties of bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);molybdenum;tris(oxygen(2-));bis(tetraphenylboranuide)?

bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);molybdenum;tris(oxygen(2-));bis(tetraphenylboranuide) has a molecular weight of 1487.10 g/mol, XLogP of 11.27, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate);molybdenum;tris(oxygen(2-));bis(tetraphenylboranuide) is sourced from PubChem (CID 139148858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).