2-[1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate

C48H62F6MnN2O2P- — CID 139264696

IUPAC2-[1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate
SMILESCCC(c1ccc(C(C)(C)C)cc1)c1c(C)ccc(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2ccc(C)c(C(CC)c3ccc(C(C)(C)C)cc3)c2O)c1O.F[P-](F)(F)(F)(F)F.[Mn]
InChIInChI=1S/C48H62N2O2.F6P.Mn/c1-11-39(33-21-25-37(26-22-33)47(5,6)7)43-31(3)17-19-35(45(43)51)29-49-41-15-13-14-16-42(41)50-30-36-20-18-32(4)44(46(36)52)40(12-2)34-23-27-38(28-24-34)48(8,9)10;1-7(2,3,4,5)6;/h17-30,39-42,51-52H,11-16H2,1-10H3;;/q;-1;/b49-29+,50-30+;;/t39?,40?,41-,42-;;/m0../s1
InChIKeyQAONKHLTNFWVJE-FOOLQGOSSA-N
MW898.94 g/mol
LogP15.62
Rot. Bonds10

About 2-[1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate

2-[1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate (PubChem CID 139264696) has the molecular formula C48H62F6MnN2O2P- and a molecular weight of 898.94 g/mol. Its IUPAC name is 2-[1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate.

Molecular Properties

Compound Name2-[1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate
PubChem CID139264696
Molecular FormulaC48H62F6MnN2O2P-
Molecular Weight898.94 g/mol
Exact Mass898.38
IUPAC Name2-[1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate
SMILESCCC(c1ccc(C(C)(C)C)cc1)c1c(C)ccc(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2ccc(C)c(C(CC)c3ccc(C(C)(C)C)cc3)c2O)c1O.F[P-](F)(F)(F)(F)F.[Mn]
InChIInChI=1S/C48H62N2O2.F6P.Mn/c1-11-39(33-21-25-37(26-22-33)47(5,6)7)43-31(3)17-19-35(45(43)51)29-49-41-15-13-14-16-42(41)50-30-36-20-18-32(4)44(46(36)52)40(12-2)34-23-27-38(28-24-34)48(8,9)10;1-7(2,3,4,5)6;/h17-30,39-42,51-52H,11-16H2,1-10H3;;/q;-1;/b49-29+,50-30+;;/t39?,40?,41-,42-;;/m0../s1
InChIKeyQAONKHLTNFWVJE-FOOLQGOSSA-N
XLogP15.62
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.94
LogP ≤ 515.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate with MolForge

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Related Compounds

6-[[(1S,2S)-2-[[2-hydroxy-5-methoxy-4-methyl-3-(1-phenylpropyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-methoxy-3-methyl-2-(1-phenylpropyl)phenol;manganese;hexafluorophosphate
CID 139264730
2-[[2-[[2-hydroxy-3-methyl-5-(3-methylpentan-3-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(3-methylpentan-3-yl)phenol
CID 158335728
4-tert-butyl-2-[[(1R,2R)-2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methylphenol
CID 136611019
4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 136775436
2-[[(1S,2S)-2-[[2-hydroxy-3-methyl-5-(5-methylnonan-5-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(5-methylnonan-5-yl)phenol
CID 158512440
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese;chloride
CID 146161249
4-tert-butyl-2-[[(1R,2R)-2-[[5-tert-butyl-3-[(dimethylamino)methyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-6-[(dimethylamino)methyl]phenol
CID 136912073
2-(4-tert-butyl-2,6-dimethylphenyl)-6-[[(1S,2S)-2-[[3-(4-tert-butyl-2,6-dimethylphenyl)-2-hydroxy-5-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-4-methylphenol
CID 136693668
4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-phenylphenol
CID 137069260
4-tert-butyl-2-[[2-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-chlorophenol
CID 5073488
2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
CID 137139639
2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese(3+)
CID 137305952

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate?
The IUPAC name of 2-[1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate (CID 139264696) is 2-[1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate.
What is the SMILES notation for 2-[1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate?
The canonical SMILES for 2-[1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate is CCC(c1ccc(C(C)(C)C)cc1)c1c(C)ccc(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2ccc(C)c(C(CC)c3ccc(C(C)(C)C)cc3)c2O)c1O.F[P-](F)(F)(F)(F)F.[Mn].
What is the InChIKey of 2-[1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate?
The InChIKey is QAONKHLTNFWVJE-FOOLQGOSSA-N. The full InChI is InChI=1S/C48H62N2O2.F6P.Mn/c1-11-39(33-21-25-37(26-22-33)47(5,6)7)43-31(3)17-19-35(45(43)51)29-49-41-15-13-14-16-42(41)50-30-36-20-18-32(4)44(46(36)52)40(12-2)34-23-27-38(28-24-34)48(8,9)10;1-7(2,3,4,5)6;/h17-30,39-42,51-52H,11-16H2,1-10H3;;/q;-1;/b49-29+,50-30+;;/t39?,40?,41-,42-;;/m0../s1.
What are the key properties of 2-[1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate?
2-[1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate has a molecular weight of 898.94 g/mol, XLogP of 15.62, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate is sourced from PubChem (CID 139264696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).