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

C48H62F6MnN2O2P- — CID 135476091

IUPAC2-[(1R)-1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[(1R)-1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate
SMILESCC[C@H](c1ccc(C(C)(C)C)cc1)c1c(C)ccc(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2ccc(C)c([C@H](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+;;/m1../s1
InChIKeyQAONKHLTNFWVJE-VEDVCCOKSA-N
MW898.94 g/mol
LogP15.62
Rot. Bonds10

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

2-[(1R)-1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[(1R)-1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate (PubChem CID 135476091) has the molecular formula C48H62F6MnN2O2P- and a molecular weight of 898.94 g/mol. Its IUPAC name is 2-[(1R)-1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[(1R)-1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate.

Molecular Properties

Compound Name2-[(1R)-1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[(1R)-1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate
PubChem CID135476091
Molecular FormulaC48H62F6MnN2O2P-
Molecular Weight898.94 g/mol
Exact Mass898.38
IUPAC Name2-[(1R)-1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[(1R)-1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate
SMILESCC[C@H](c1ccc(C(C)(C)C)cc1)c1c(C)ccc(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2ccc(C)c([C@H](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+;;/m1../s1
InChIKeyQAONKHLTNFWVJE-VEDVCCOKSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[(1R)-1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate?
The IUPAC name of 2-[(1R)-1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[(1R)-1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate (CID 135476091) is 2-[(1R)-1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[(1R)-1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate.
What is the SMILES notation for 2-[(1R)-1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[(1R)-1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate?
The canonical SMILES for 2-[(1R)-1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[(1R)-1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate is CC[C@H](c1ccc(C(C)(C)C)cc1)c1c(C)ccc(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2ccc(C)c([C@H](CC)c3ccc(C(C)(C)C)cc3)c2O)c1O.F[P-](F)(F)(F)(F)F.[Mn].
What is the InChIKey of 2-[(1R)-1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[(1R)-1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate?
The InChIKey is QAONKHLTNFWVJE-VEDVCCOKSA-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+;;/m1../s1.
What are the key properties of 2-[(1R)-1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[(1R)-1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate?
2-[(1R)-1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[(1R)-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-[(1R)-1-(4-tert-butylphenyl)propyl]-6-[[(1S,2S)-2-[[3-[(1R)-1-(4-tert-butylphenyl)propyl]-2-hydroxy-4-methylphenyl]methylideneamino]cyclohexyl]iminomethyl]-3-methylphenol;manganese;hexafluorophosphate is sourced from PubChem (CID 135476091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).