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

C19H18F6MoN3O3P-6 — CID 139148857

IUPAC2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate;molybdenum;bis(oxygen(2-));hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.[Mo].[O-2].[O-2].[O-]c1ccccc1CN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C19H19N3O.F6P.Mo.2O/c23-19-10-2-1-7-16(19)13-22(14-17-8-3-5-11-20-17)15-18-9-4-6-12-21-18;1-7(2,3,4,5)6;;;/h1-12,23H,13-15H2;;;;/q;-1;;2*-2/p-1
InChIKeyVNYLELGBRLEGSM-UHFFFAOYSA-M
MW577.27 g/mol
LogP5.89
Rot. Bonds6

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

2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate;molybdenum;bis(oxygen(2-));hexafluorophosphate (PubChem CID 139148857) has the molecular formula C19H18F6MoN3O3P-6 and a molecular weight of 577.27 g/mol. Its IUPAC name is 2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate;molybdenum;bis(oxygen(2-));hexafluorophosphate.

Molecular Properties

Compound Name2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate;molybdenum;bis(oxygen(2-));hexafluorophosphate
PubChem CID139148857
Molecular FormulaC19H18F6MoN3O3P-6
Molecular Weight577.27 g/mol
Exact Mass579.01
IUPAC Name2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate;molybdenum;bis(oxygen(2-));hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.[Mo].[O-2].[O-2].[O-]c1ccccc1CN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C19H19N3O.F6P.Mo.2O/c23-19-10-2-1-7-16(19)13-22(14-17-8-3-5-11-20-17)15-18-9-4-6-12-21-18;1-7(2,3,4,5)6;;;/h1-12,23H,13-15H2;;;;/q;-1;;2*-2/p-1
InChIKeyVNYLELGBRLEGSM-UHFFFAOYSA-M
XLogP5.89
TPSA109.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.27
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate;molybdenum;bis(oxygen(2-));hexafluorophosphate?
The IUPAC name of 2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate;molybdenum;bis(oxygen(2-));hexafluorophosphate (CID 139148857) is 2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate;molybdenum;bis(oxygen(2-));hexafluorophosphate.
What is the SMILES notation for 2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate;molybdenum;bis(oxygen(2-));hexafluorophosphate?
The canonical SMILES for 2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate;molybdenum;bis(oxygen(2-));hexafluorophosphate is F[P-](F)(F)(F)(F)F.[Mo].[O-2].[O-2].[O-]c1ccccc1CN(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of 2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate;molybdenum;bis(oxygen(2-));hexafluorophosphate?
The InChIKey is VNYLELGBRLEGSM-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H19N3O.F6P.Mo.2O/c23-19-10-2-1-7-16(19)13-22(14-17-8-3-5-11-20-17)15-18-9-4-6-12-21-18;1-7(2,3,4,5)6;;;/h1-12,23H,13-15H2;;;;/q;-1;;2*-2/p-1.
What are the key properties of 2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate;molybdenum;bis(oxygen(2-));hexafluorophosphate?
2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate;molybdenum;bis(oxygen(2-));hexafluorophosphate has a molecular weight of 577.27 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate;molybdenum;bis(oxygen(2-));hexafluorophosphate is sourced from PubChem (CID 139148857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).