2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol;manganese;hexafluorophosphate

C16H14F6MnN4O6P- — CID 139264621

IUPAC2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol;manganese;hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.O=[N+]([O-])c1ccc(O)c(/C=N/CC/N=C/c2cc([N+](=O)[O-])ccc2O)c1.[Mn]
InChIInChI=1S/C16H14N4O6.F6P.Mn/c21-15-3-1-13(19(23)24)7-11(15)9-17-5-6-18-10-12-8-14(20(25)26)2-4-16(12)22;1-7(2,3,4,5)6;/h1-4,7-10,21-22H,5-6H2;;/q;-1;/b17-9+,18-10+;;
InChIKeySFHRHRRVGZDCTN-CKNTWHFTSA-N
MW558.21 g/mol
LogP5.83
Rot. Bonds7

About 2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol;manganese;hexafluorophosphate

2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol;manganese;hexafluorophosphate (PubChem CID 139264621) has the molecular formula C16H14F6MnN4O6P- and a molecular weight of 558.21 g/mol. Its IUPAC name is 2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol;manganese;hexafluorophosphate.

Molecular Properties

Compound Name2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol;manganese;hexafluorophosphate
PubChem CID139264621
Molecular FormulaC16H14F6MnN4O6P-
Molecular Weight558.21 g/mol
Exact Mass557.99
IUPAC Name2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol;manganese;hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.O=[N+]([O-])c1ccc(O)c(/C=N/CC/N=C/c2cc([N+](=O)[O-])ccc2O)c1.[Mn]
InChIInChI=1S/C16H14N4O6.F6P.Mn/c21-15-3-1-13(19(23)24)7-11(15)9-17-5-6-18-10-12-8-14(20(25)26)2-4-16(12)22;1-7(2,3,4,5)6;/h1-4,7-10,21-22H,5-6H2;;/q;-1;/b17-9+,18-10+;;
InChIKeySFHRHRRVGZDCTN-CKNTWHFTSA-N
XLogP5.83
TPSA151.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.21
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol
CID 177498703
iron(3+);bis(2-[2-(methylamino)ethyliminomethyl]-4-nitrophenol)
CID 135459871
2-(heptyliminomethyl)-4-nitrophenol
CID 4512182
4-nitro-2-(octadecyliminomethyl)phenol
CID 4097275
4-(dimethylamino)-2-[3-[(2-hydroxy-5-nitrophenyl)methylideneamino]propyliminomethyl]phenol
CID 139138755
2-[2-(furan-2-yl)ethyliminomethyl]-4-nitrophenol
CID 135757905
manganese(3+);4-nitro-2-[2-[(5-nitro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 6712093
2-(1-adamantylmethyliminomethyl)-4-nitrophenol
CID 3990801
4-nitro-2-[[(2S)-2-phenylpropyl]iminomethyl]phenol
CID 135596350
2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
CID 3358963
4-nitro-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyliminomethyl]phenol
CID 135829043
2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol
CID 2838677

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol;manganese;hexafluorophosphate?
The IUPAC name of 2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol;manganese;hexafluorophosphate (CID 139264621) is 2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol;manganese;hexafluorophosphate.
What is the SMILES notation for 2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol;manganese;hexafluorophosphate?
The canonical SMILES for 2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol;manganese;hexafluorophosphate is F[P-](F)(F)(F)(F)F.O=[N+]([O-])c1ccc(O)c(/C=N/CC/N=C/c2cc([N+](=O)[O-])ccc2O)c1.[Mn].
What is the InChIKey of 2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol;manganese;hexafluorophosphate?
The InChIKey is SFHRHRRVGZDCTN-CKNTWHFTSA-N. The full InChI is InChI=1S/C16H14N4O6.F6P.Mn/c21-15-3-1-13(19(23)24)7-11(15)9-17-5-6-18-10-12-8-14(20(25)26)2-4-16(12)22;1-7(2,3,4,5)6;/h1-4,7-10,21-22H,5-6H2;;/q;-1;/b17-9+,18-10+;;.
What are the key properties of 2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol;manganese;hexafluorophosphate?
2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol;manganese;hexafluorophosphate has a molecular weight of 558.21 g/mol, XLogP of 5.83, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol;manganese;hexafluorophosphate is sourced from PubChem (CID 139264621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).