2-tert-butyl-4-[[3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-4-oxidophenyl]methyl]-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;ethyl sulfate;bis(oxygen(2-));bis(vanadium)

C69H98N4O14S2V2-10 — CID 11851190

IUPAC2-tert-butyl-4-[[3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-4-oxidophenyl]methyl]-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;ethyl sulfate;bis(oxygen(2-));bis(vanadium)
SMILESCC(C)(C)c1cc(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cc(Cc3cc(/C=N/[C@@H]4CCCC[C@H]4/N=C/c4cc(C(C)(C)C)cc(C(C)(C)C)c4[O-])c([O-])c(C(C)(C)C)c3)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].[O-2].[O-2].[V].[V]
InChIInChI=1S/C65H92N4O4.2C2H6O4S.2O.2V/c1-60(2,3)46-32-44(58(72)50(34-46)64(13,14)15)38-68-54-25-21-19-23-52(54)66-36-42-28-40(30-48(56(42)70)62(7,8)9)27-41-29-43(57(71)49(31-41)63(10,11)12)37-67-53-24-20-22-26-55(53)69-39-45-33-47(61(4,5)6)35-51(59(45)73)65(16,17)18;2*1-2-6-7(3,4)5;;;;/h28-39,52-55,70-73H,19-27H2,1-18H3;2*2H2,1H3,(H,3,4,5);;;;/q;;;2*-2;;/p-6/b66-36+,67-37+,68-38+,69-39+;;;;;;/t52-,53-,54-,55-;;;;;;/m1....../s1
InChIKeyFPXPSLORAHYVRO-XNIMKVECSA-H
MW1373.58 g/mol
LogP11.78
Rot. Bonds14

About 2-tert-butyl-4-[[3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-4-oxidophenyl]methyl]-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;ethyl sulfate;bis(oxygen(2-));bis(vanadium)

2-tert-butyl-4-[[3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-4-oxidophenyl]methyl]-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;ethyl sulfate;bis(oxygen(2-));bis(vanadium) (PubChem CID 11851190) has the molecular formula C69H98N4O14S2V2-10 and a molecular weight of 1373.58 g/mol. Its IUPAC name is 2-tert-butyl-4-[[3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-4-oxidophenyl]methyl]-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;ethyl sulfate;bis(oxygen(2-));bis(vanadium).

Molecular Properties

Compound Name2-tert-butyl-4-[[3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-4-oxidophenyl]methyl]-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;ethyl sulfate;bis(oxygen(2-));bis(vanadium)
PubChem CID11851190
Molecular FormulaC69H98N4O14S2V2-10
Molecular Weight1373.58 g/mol
Exact Mass1372.55
IUPAC Name2-tert-butyl-4-[[3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-4-oxidophenyl]methyl]-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;ethyl sulfate;bis(oxygen(2-));bis(vanadium)
SMILESCC(C)(C)c1cc(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cc(Cc3cc(/C=N/[C@@H]4CCCC[C@H]4/N=C/c4cc(C(C)(C)C)cc(C(C)(C)C)c4[O-])c([O-])c(C(C)(C)C)c3)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].[O-2].[O-2].[V].[V]
InChIInChI=1S/C65H92N4O4.2C2H6O4S.2O.2V/c1-60(2,3)46-32-44(58(72)50(34-46)64(13,14)15)38-68-54-25-21-19-23-52(54)66-36-42-28-40(30-48(56(42)70)62(7,8)9)27-41-29-43(57(71)49(31-41)63(10,11)12)37-67-53-24-20-22-26-55(53)69-39-45-33-47(61(4,5)6)35-51(59(45)73)65(16,17)18;2*1-2-6-7(3,4)5;;;;/h28-39,52-55,70-73H,19-27H2,1-18H3;2*2H2,1H3,(H,3,4,5);;;;/q;;;2*-2;;/p-6/b66-36+,67-37+,68-38+,69-39+;;;;;;/t52-,53-,54-,55-;;;;;;/m1....../s1
InChIKeyFPXPSLORAHYVRO-XNIMKVECSA-H
XLogP11.78
TPSA331.54 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001373.58
LogP ≤ 511.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze 2-tert-butyl-4-[[3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-4-oxidophenyl]methyl]-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;ethyl sulfate;bis(oxygen(2-));bis(vanadium) with MolForge

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Related Compounds

bis(2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate);bis(oxygen(2-));bis(titanium(4+))
CID 11615085
cobalt(3+);2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;4-methylbenzenesulfonate
CID 11975136
4-bromo-2-[[(2R)-2-[(5-bromo-3-tert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenolate;platinum(2+)
CID 139196538
4-tert-butyl-2-[[(1S,2S)-2-[(5-tert-butyl-3-methyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methylphenolate;cobalt(3+);chloride
CID 171703453
cobalt(2+);2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;diacetate
CID 173167408
2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese(3+)
CID 137305952
2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
CID 137139639
2-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,3,5-triol
CID 137125280
chromium;2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;hydrochloride
CID 166597440
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese;chloride
CID 146161249
cobalt(3+);2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;triiodide
CID 173086543
chromium;2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;chloride
CID 170923546

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[[3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-4-oxidophenyl]methyl]-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;ethyl sulfate;bis(oxygen(2-));bis(vanadium)?
The IUPAC name of 2-tert-butyl-4-[[3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-4-oxidophenyl]methyl]-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;ethyl sulfate;bis(oxygen(2-));bis(vanadium) (CID 11851190) is 2-tert-butyl-4-[[3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-4-oxidophenyl]methyl]-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;ethyl sulfate;bis(oxygen(2-));bis(vanadium).
What is the SMILES notation for 2-tert-butyl-4-[[3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-4-oxidophenyl]methyl]-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;ethyl sulfate;bis(oxygen(2-));bis(vanadium)?
The canonical SMILES for 2-tert-butyl-4-[[3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-4-oxidophenyl]methyl]-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;ethyl sulfate;bis(oxygen(2-));bis(vanadium) is CC(C)(C)c1cc(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cc(Cc3cc(/C=N/[C@@H]4CCCC[C@H]4/N=C/c4cc(C(C)(C)C)cc(C(C)(C)C)c4[O-])c([O-])c(C(C)(C)C)c3)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].[O-2].[O-2].[V].[V].
What is the InChIKey of 2-tert-butyl-4-[[3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-4-oxidophenyl]methyl]-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;ethyl sulfate;bis(oxygen(2-));bis(vanadium)?
The InChIKey is FPXPSLORAHYVRO-XNIMKVECSA-H. The full InChI is InChI=1S/C65H92N4O4.2C2H6O4S.2O.2V/c1-60(2,3)46-32-44(58(72)50(34-46)64(13,14)15)38-68-54-25-21-19-23-52(54)66-36-42-28-40(30-48(56(42)70)62(7,8)9)27-41-29-43(57(71)49(31-41)63(10,11)12)37-67-53-24-20-22-26-55(53)69-39-45-33-47(61(4,5)6)35-51(59(45)73)65(16,17)18;2*1-2-6-7(3,4)5;;;;/h28-39,52-55,70-73H,19-27H2,1-18H3;2*2H2,1H3,(H,3,4,5);;;;/q;;;2*-2;;/p-6/b66-36+,67-37+,68-38+,69-39+;;;;;;/t52-,53-,54-,55-;;;;;;/m1....../s1.
What are the key properties of 2-tert-butyl-4-[[3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-4-oxidophenyl]methyl]-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;ethyl sulfate;bis(oxygen(2-));bis(vanadium)?
2-tert-butyl-4-[[3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-4-oxidophenyl]methyl]-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;ethyl sulfate;bis(oxygen(2-));bis(vanadium) has a molecular weight of 1373.58 g/mol, XLogP of 11.78, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[[3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]-4-oxidophenyl]methyl]-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;ethyl sulfate;bis(oxygen(2-));bis(vanadium) is sourced from PubChem (CID 11851190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).