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

C42H50F6MnN2O4P- — CID 139264730

IUPAC6-[[(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
SMILESCCC(c1ccccc1)c1c(C)c(OC)cc(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cc(OC)c(C)c(C(CC)c3ccccc3)c2O)c1O.F[P-](F)(F)(F)(F)F.[Mn]
InChIInChI=1S/C42H50N2O4.F6P.Mn/c1-7-33(29-17-11-9-12-18-29)39-27(3)37(47-5)23-31(41(39)45)25-43-35-21-15-16-22-36(35)44-26-32-24-38(48-6)28(4)40(42(32)46)34(8-2)30-19-13-10-14-20-30;1-7(2,3,4,5)6;/h9-14,17-20,23-26,33-36,45-46H,7-8,15-16,21-22H2,1-6H3;;/q;-1;/b43-25+,44-26+;;/t33?,34?,35-,36-;;/m0../s1
InChIKeyBHNGDKDAJJKDRM-WNMIFYIESA-N
MW846.77 g/mol
LogP13.04
Rot. Bonds12

About 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

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 (PubChem CID 139264730) has the molecular formula C42H50F6MnN2O4P- and a molecular weight of 846.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[[(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
PubChem CID139264730
Molecular FormulaC42H50F6MnN2O4P-
Molecular Weight846.77 g/mol
Exact Mass846.28
IUPAC Name6-[[(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
SMILESCCC(c1ccccc1)c1c(C)c(OC)cc(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cc(OC)c(C)c(C(CC)c3ccccc3)c2O)c1O.F[P-](F)(F)(F)(F)F.[Mn]
InChIInChI=1S/C42H50N2O4.F6P.Mn/c1-7-33(29-17-11-9-12-18-29)39-27(3)37(47-5)23-31(41(39)45)25-43-35-21-15-16-22-36(35)44-26-32-24-38(48-6)28(4)40(42(32)46)34(8-2)30-19-13-10-14-20-30;1-7(2,3,4,5)6;/h9-14,17-20,23-26,33-36,45-46H,7-8,15-16,21-22H2,1-6H3;;/q;-1;/b43-25+,44-26+;;/t33?,34?,35-,36-;;/m0../s1
InChIKeyBHNGDKDAJJKDRM-WNMIFYIESA-N
XLogP13.04
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.77
LogP ≤ 513.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methoxyphenol
CID 135471088
3-[[(1R,2R)-2-[[3-hydroxy-7-methoxy-4-(6-methoxy-2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-6-methoxy-1-(6-methoxy-2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate
CID 16157434
3-[[(1S,2S)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate
CID 135432159
3-[[(1R,2R,3R,6R)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-3,6-dimethylcyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate
CID 135437264
3-[[(1R,2R)-2-[[3-hydroxy-4-(2-phenylphenyl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylphenyl)naphthalen-2-ol;manganese;hexafluorophosphate
CID 135451106
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
3-[[(1R,2R)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;manganese;hexafluorophosphate
CID 135542391
2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methoxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methoxyphenol;chromium(3+)
CID 137305937
2-tert-Butyl-6-(cyclohexyliminomethyl)-4-methoxyphenol
CID 139081551
ethoxyethane;bis((4R,9R,19R,24R,34R,39R)-14,29,44-trimethoxy-3,10,18,25,33,40-hexazaheptacyclo[40.3.1.112,16.127,31.04,9.019,24.034,39]octatetraconta-1(45),2,10,12,14,16(48),17,25,27(47),28,30,32,40,42(46),43-pentadecaene-46,47,48-triol)
CID 139192328
2-Tert-butyl-6-[[2-[[3-tert-butyl-2-hydroxy-5-(2-methylpropoxy)phenyl]methylideneamino]-1,2-diphenylethyl]iminomethyl]-4-(2-methylpropoxy)phenol;manganese;hexafluorophosphate
CID 139264651
2-Tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-propan-2-yloxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]-4-propan-2-yloxyphenol;manganese;hexafluorophosphate
CID 139264653

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(c1ccccc1)c1c(C)c(OC)cc(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cc(OC)c(C)c(C(CC)c3ccccc3)c2O)c1O.F[P-](F)(F)(F)(F)F.[Mn].
What is the InChIKey of 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?
The InChIKey is BHNGDKDAJJKDRM-WNMIFYIESA-N. The full InChI is InChI=1S/C42H50N2O4.F6P.Mn/c1-7-33(29-17-11-9-12-18-29)39-27(3)37(47-5)23-31(41(39)45)25-43-35-21-15-16-22-36(35)44-26-32-24-38(48-6)28(4)40(42(32)46)34(8-2)30-19-13-10-14-20-30;1-7(2,3,4,5)6;/h9-14,17-20,23-26,33-36,45-46H,7-8,15-16,21-22H2,1-6H3;;/q;-1;/b43-25+,44-26+;;/t33?,34?,35-,36-;;/m0../s1.
What are the key properties of 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?
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 has a molecular weight of 846.77 g/mol, XLogP of 13.04, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139264730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).