hydroperoxyethane;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;rhodium(2+);hexafluorophosphate

C20H23F6N4O2PRh — CID 11330851

IUPAChydroperoxyethane;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;rhodium(2+);hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.[CH2-]COO.[Rh+2].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/C18H18N4.C2H5O2.F6P.Rh/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-2-4-3;1-7(2,3,4,5)6;/h1-12H,13-15H2;3H,1-2H2;;/q;2*-1;+2
InChIKeySBJKYLHYFCREKQ-UHFFFAOYSA-N
MW599.30 g/mol
LogP6.76
Rot. Bonds7

About hydroperoxyethane;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;rhodium(2+);hexafluorophosphate

hydroperoxyethane;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;rhodium(2+);hexafluorophosphate (PubChem CID 11330851) has the molecular formula C20H23F6N4O2PRh and a molecular weight of 599.30 g/mol. Its IUPAC name is hydroperoxyethane;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;rhodium(2+);hexafluorophosphate.

Molecular Properties

Compound Namehydroperoxyethane;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;rhodium(2+);hexafluorophosphate
PubChem CID11330851
Molecular FormulaC20H23F6N4O2PRh
Molecular Weight599.30 g/mol
Exact Mass599.05
IUPAC Namehydroperoxyethane;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;rhodium(2+);hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.[CH2-]COO.[Rh+2].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/C18H18N4.C2H5O2.F6P.Rh/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-2-4-3;1-7(2,3,4,5)6;/h1-12H,13-15H2;3H,1-2H2;;/q;2*-1;+2
InChIKeySBJKYLHYFCREKQ-UHFFFAOYSA-N
XLogP6.76
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.30
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
ethenylbenzene;ethoxyboronic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;rhodium(3+);hexafluorophosphate
CID 50905764
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 102272513
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-[[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4,6-triethylphenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 15846287
zinc;acetic acid;1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol;zinc;dihexafluorophosphate
CID 90472653
tris(acetonitrile);N-[[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4,6-triethylphenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;tris(copper(1+));heptakis(dichloromethane);trihexafluorophosphate
CID 139162535
osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 171575278
N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 101191424
tris(acetonitrile);lutetium(3+);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);triiodide
CID 139129489
[ethyl(pyridin-2-ylmethyl)amino]methanol
CID 20707216

Frequently Asked Questions

What is the IUPAC name of hydroperoxyethane;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;rhodium(2+);hexafluorophosphate?
The IUPAC name of hydroperoxyethane;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;rhodium(2+);hexafluorophosphate (CID 11330851) is hydroperoxyethane;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;rhodium(2+);hexafluorophosphate.
What is the SMILES notation for hydroperoxyethane;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;rhodium(2+);hexafluorophosphate?
The canonical SMILES for hydroperoxyethane;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;rhodium(2+);hexafluorophosphate is F[P-](F)(F)(F)(F)F.[CH2-]COO.[Rh+2].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.
What is the InChIKey of hydroperoxyethane;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;rhodium(2+);hexafluorophosphate?
The InChIKey is SBJKYLHYFCREKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4.C2H5O2.F6P.Rh/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-2-4-3;1-7(2,3,4,5)6;/h1-12H,13-15H2;3H,1-2H2;;/q;2*-1;+2.
What are the key properties of hydroperoxyethane;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;rhodium(2+);hexafluorophosphate?
hydroperoxyethane;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;rhodium(2+);hexafluorophosphate has a molecular weight of 599.30 g/mol, XLogP of 6.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxyethane;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;rhodium(2+);hexafluorophosphate is sourced from PubChem (CID 11330851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).