bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-6-methoxy-4-methylphenolate);bis(oxygen(2-));tetrakis(propan-1-olate);bis(vanadium)

C56H74N4O10V2-10 — CID 139164658

About bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-6-methoxy-4-methylphenolate);bis(oxygen(2-));tetrakis(propan-1-olate);bis(vanadium)

bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-6-methoxy-4-methylphenolate);bis(oxygen(2-));tetrakis(propan-1-olate);bis(vanadium) (PubChem CID 139164658) has the molecular formula C56H74N4O10V2-10 and a molecular weight of 1065.11 g/mol. Its IUPAC name is bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-6-methoxy-4-methylphenolate);bis(oxygen(2-));tetrakis(propan-1-olate);bis(vanadium).

Molecular Properties

• Compound Name: bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-6-methoxy-4-methylphenolate);bis(oxygen(2-));tetrakis(propan-1-olate);bis(vanadium)
• PubChem CID: 139164658
• Molecular Formula: C56H74N4O10V2-10
• Molecular Weight: 1065.11 g/mol
• Exact Mass: 1064.43
• IUPAC Name: bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-6-methoxy-4-methylphenolate);bis(oxygen(2-));tetrakis(propan-1-olate);bis(vanadium)
• SMILES: CCC[O-].CCC[O-].CCC[O-].CCC[O-].COc1cc(C)cc(CN(Cc2ccccc2)Cc2ccccn2)c1[O-].COc1cc(C)cc(CN(Cc2ccccc2)Cc2ccccn2)c1[O-].[O-2].[O-2].[V].[V]
• InChI: InChI=1S/2C22H24N2O2.4C3H7O.2O.2V/c2*1-17-12-19(22(25)21(13-17)26-2)15-24(14-18-8-4-3-5-9-18)16-20-10-6-7-11-23-20;4*1-2-3-4;;;;/h2*3-13,25H,14-16H2,1-2H3;4*2-3H2,1H3;;;;/q;;4*-1;2*-2;;/p-2
• InChIKey: OTHXVBUAURQSQB-UHFFFAOYSA-L
• XLogP: 6.13
• TPSA: 246.08 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1065.11
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-6-methoxy-4-methylphenolate);bis(oxygen(2-));tetrakis(propan-1-olate);bis(vanadium)?

The IUPAC name of bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-6-methoxy-4-methylphenolate);bis(oxygen(2-));tetrakis(propan-1-olate);bis(vanadium) (CID 139164658) is bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-6-methoxy-4-methylphenolate);bis(oxygen(2-));tetrakis(propan-1-olate);bis(vanadium).

What is the SMILES notation for bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-6-methoxy-4-methylphenolate);bis(oxygen(2-));tetrakis(propan-1-olate);bis(vanadium)?

The canonical SMILES for bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-6-methoxy-4-methylphenolate);bis(oxygen(2-));tetrakis(propan-1-olate);bis(vanadium) is CCC[O-].CCC[O-].CCC[O-].CCC[O-].COc1cc(C)cc(CN(Cc2ccccc2)Cc2ccccn2)c1[O-].COc1cc(C)cc(CN(Cc2ccccc2)Cc2ccccn2)c1[O-].[O-2].[O-2].[V].[V].

What is the InChIKey of bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-6-methoxy-4-methylphenolate);bis(oxygen(2-));tetrakis(propan-1-olate);bis(vanadium)?

The InChIKey is OTHXVBUAURQSQB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C22H24N2O2.4C3H7O.2O.2V/c2*1-17-12-19(22(25)21(13-17)26-2)15-24(14-18-8-4-3-5-9-18)16-20-10-6-7-11-23-20;4*1-2-3-4;;;;/h2*3-13,25H,14-16H2,1-2H3;4*2-3H2,1H3;;;;/q;;4*-1;2*-2;;/p-2.

What are the key properties of bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-6-methoxy-4-methylphenolate);bis(oxygen(2-));tetrakis(propan-1-olate);bis(vanadium)?

bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-6-methoxy-4-methylphenolate);bis(oxygen(2-));tetrakis(propan-1-olate);bis(vanadium) has a molecular weight of 1065.11 g/mol, XLogP of 6.13, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-6-methoxy-4-methylphenolate);bis(oxygen(2-));tetrakis(propan-1-olate);bis(vanadium) is sourced from PubChem (CID 139164658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).