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

C42H52F6MnN2O4P- — CID 139264653

IUPAC2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-propan-2-yloxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]-4-propan-2-yloxyphenol;manganese;hexafluorophosphate
SMILESCC(C)Oc1cc(/C=N/C(c2ccccc2)C(/N=C/c2cc(OC(C)C)cc(C(C)(C)C)c2O)c2ccccc2)c(O)c(C(C)(C)C)c1.F[P-](F)(F)(F)(F)F.[Mn]
InChIInChI=1S/C42H52N2O4.F6P.Mn/c1-27(2)47-33-21-31(39(45)35(23-33)41(5,6)7)25-43-37(29-17-13-11-14-18-29)38(30-19-15-12-16-20-30)44-26-32-22-34(48-28(3)4)24-36(40(32)46)42(8,9)10;1-7(2,3,4,5)6;/h11-28,37-38,45-46H,1-10H3;;/q;-1;/b43-25+,44-26+;;
InChIKeyQQDAQMWPULUVGJ-BNOXCDEESA-N
MW848.79 g/mol
LogP13.67
Rot. Bonds11

About 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

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 (PubChem CID 139264653) has the molecular formula C42H52F6MnN2O4P- and a molecular weight of 848.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-propan-2-yloxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]-4-propan-2-yloxyphenol;manganese;hexafluorophosphate
PubChem CID139264653
Molecular FormulaC42H52F6MnN2O4P-
Molecular Weight848.79 g/mol
Exact Mass848.30
IUPAC Name2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-propan-2-yloxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]-4-propan-2-yloxyphenol;manganese;hexafluorophosphate
SMILESCC(C)Oc1cc(/C=N/C(c2ccccc2)C(/N=C/c2cc(OC(C)C)cc(C(C)(C)C)c2O)c2ccccc2)c(O)c(C(C)(C)C)c1.F[P-](F)(F)(F)(F)F.[Mn]
InChIInChI=1S/C42H52N2O4.F6P.Mn/c1-27(2)47-33-21-31(39(45)35(23-33)41(5,6)7)25-43-37(29-17-13-11-14-18-29)38(30-19-15-12-16-20-30)44-26-32-22-34(48-28(3)4)24-36(40(32)46)42(8,9)10;1-7(2,3,4,5)6;/h11-28,37-38,45-46H,1-10H3;;/q;-1;/b43-25+,44-26+;;
InChIKeyQQDAQMWPULUVGJ-BNOXCDEESA-N
XLogP13.67
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.79
LogP ≤ 513.67
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'}

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Oc1cc(/C=N/C(c2ccccc2)C(/N=C/c2cc(OC(C)C)cc(C(C)(C)C)c2O)c2ccccc2)c(O)c(C(C)(C)C)c1.F[P-](F)(F)(F)(F)F.[Mn].
What is the InChIKey of 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?
The InChIKey is QQDAQMWPULUVGJ-BNOXCDEESA-N. The full InChI is InChI=1S/C42H52N2O4.F6P.Mn/c1-27(2)47-33-21-31(39(45)35(23-33)41(5,6)7)25-43-37(29-17-13-11-14-18-29)38(30-19-15-12-16-20-30)44-26-32-22-34(48-28(3)4)24-36(40(32)46)42(8,9)10;1-7(2,3,4,5)6;/h11-28,37-38,45-46H,1-10H3;;/q;-1;/b43-25+,44-26+;;.
What are the key properties of 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?
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 has a molecular weight of 848.79 g/mol, XLogP of 13.67, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139264653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).