(4-fluorophenyl)-hydroxyphosphinate;bis(manganese(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);perchlorate

C38H33ClFMn2N4O11P — CID 139140804

IUPAC(4-fluorophenyl)-hydroxyphosphinate;bis(manganese(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);perchlorate
SMILESO=P([O-])(O)c1ccc(F)cc1.[Mn+3].[Mn+3].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-]
InChIInChI=1S/2C16H16N2O2.C6H6FO3P.ClHO4.2Mn/c2*19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;7-5-1-3-6(4-2-5)11(8,9)10;2-1(3,4)5;;/h2*1-8,11-12,19-20H,9-10H2;1-4H,(H2,8,9,10);(H,2,3,4,5);;/q;;;;2*+3/p-6/b2*17-11+,18-12+;;;;
InChIKeyKXQAKLHRNGPALL-IGKNZCCUSA-H
MW917.00 g/mol
LogP-2.02
Rot. Bonds11

About (4-fluorophenyl)-hydroxyphosphinate;bis(manganese(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);perchlorate

(4-fluorophenyl)-hydroxyphosphinate;bis(manganese(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);perchlorate (PubChem CID 139140804) has the molecular formula C38H33ClFMn2N4O11P and a molecular weight of 917.00 g/mol. Its IUPAC name is (4-fluorophenyl)-hydroxyphosphinate;bis(manganese(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);perchlorate.

Molecular Properties

Compound Name(4-fluorophenyl)-hydroxyphosphinate;bis(manganese(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);perchlorate
PubChem CID139140804
Molecular FormulaC38H33ClFMn2N4O11P
Molecular Weight917.00 g/mol
Exact Mass916.03
IUPAC Name(4-fluorophenyl)-hydroxyphosphinate;bis(manganese(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);perchlorate
SMILESO=P([O-])(O)c1ccc(F)cc1.[Mn+3].[Mn+3].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-]
InChIInChI=1S/2C16H16N2O2.C6H6FO3P.ClHO4.2Mn/c2*19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;7-5-1-3-6(4-2-5)11(8,9)10;2-1(3,4)5;;/h2*1-8,11-12,19-20H,9-10H2;1-4H,(H2,8,9,10);(H,2,3,4,5);;/q;;;;2*+3/p-6/b2*17-11+,18-12+;;;;
InChIKeyKXQAKLHRNGPALL-IGKNZCCUSA-H
XLogP-2.02
TPSA294.28 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.00
LogP ≤ 5-2.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

manganese(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 6711806
hexakis(manganese(3+));tetrakis(oxido(dioxo)vanadium);hexakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);diperchlorate;octahydrate
CID 139261434
manganese(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;isothiocyanate
CID 139074438
bis(4-chloropyridine);cobalt(3+);methanol;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;perchlorate
CID 139080116
chloroform;bis(nickel(2+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate)
CID 139067410
copper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate
CID 139055616
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate
CID 135406501
trizinc;bis(2-[3-[(2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate);diacetate
CID 139058151
sodium 2-(propyliminomethyl)phenolate
CID 102119842
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
5-fluoro-2-[12-[(4-fluoro-2-oxidophenyl)methylideneamino]dodecyliminomethyl]phenolate;platinum(2+)
CID 139164235
2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;oxochromium;perchlorate
CID 135501072

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-hydroxyphosphinate;bis(manganese(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);perchlorate?
The IUPAC name of (4-fluorophenyl)-hydroxyphosphinate;bis(manganese(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);perchlorate (CID 139140804) is (4-fluorophenyl)-hydroxyphosphinate;bis(manganese(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);perchlorate.
What is the SMILES notation for (4-fluorophenyl)-hydroxyphosphinate;bis(manganese(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);perchlorate?
The canonical SMILES for (4-fluorophenyl)-hydroxyphosphinate;bis(manganese(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);perchlorate is O=P([O-])(O)c1ccc(F)cc1.[Mn+3].[Mn+3].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].
What is the InChIKey of (4-fluorophenyl)-hydroxyphosphinate;bis(manganese(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);perchlorate?
The InChIKey is KXQAKLHRNGPALL-IGKNZCCUSA-H. The full InChI is InChI=1S/2C16H16N2O2.C6H6FO3P.ClHO4.2Mn/c2*19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;7-5-1-3-6(4-2-5)11(8,9)10;2-1(3,4)5;;/h2*1-8,11-12,19-20H,9-10H2;1-4H,(H2,8,9,10);(H,2,3,4,5);;/q;;;;2*+3/p-6/b2*17-11+,18-12+;;;;.
What are the key properties of (4-fluorophenyl)-hydroxyphosphinate;bis(manganese(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);perchlorate?
(4-fluorophenyl)-hydroxyphosphinate;bis(manganese(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);perchlorate has a molecular weight of 917.00 g/mol, XLogP of -2.02, 11 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-hydroxyphosphinate;bis(manganese(3+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);perchlorate is sourced from PubChem (CID 139140804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).