2,4-ditert-butyl-6-[[7-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol;2-[[7-[(2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol

C64H72N8O4 — CID 162210304

IUPAC2,4-ditert-butyl-6-[[7-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol;2-[[7-[(2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol
SMILESCc1nc2cc(/N=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)c(/N=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)cc2nc1C.Cc1nc2cc(/N=C/c3ccccc3O)c(/N=C/c3ccccc3O)cc2nc1C
InChIInChI=1S/C40H52N4O2.C24H20N4O2/c1-23-24(2)44-34-20-32(42-22-26-16-28(38(6,7)8)18-30(36(26)46)40(12,13)14)31(19-33(34)43-23)41-21-25-15-27(37(3,4)5)17-29(35(25)45)39(9,10)11;1-15-16(2)28-22-12-20(26-14-18-8-4-6-10-24(18)30)19(11-21(22)27-15)25-13-17-7-3-5-9-23(17)29/h15-22,45-46H,1-14H3;3-14,29-30H,1-2H3/b41-21+,42-22+;25-13+,26-14+
InChIKeyZSTIXNBRFHLOBC-FNNQXHBXSA-N
MW1017.33 g/mol
LogP15.51
Rot. Bonds8

About 2,4-ditert-butyl-6-[[7-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol;2-[[7-[(2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol

2,4-ditert-butyl-6-[[7-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol;2-[[7-[(2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol (PubChem CID 162210304) has the molecular formula C64H72N8O4 and a molecular weight of 1017.33 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[[7-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol;2-[[7-[(2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[[7-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol;2-[[7-[(2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol
PubChem CID162210304
Molecular FormulaC64H72N8O4
Molecular Weight1017.33 g/mol
Exact Mass1016.57
IUPAC Name2,4-ditert-butyl-6-[[7-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol;2-[[7-[(2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol
SMILESCc1nc2cc(/N=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)c(/N=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)cc2nc1C.Cc1nc2cc(/N=C/c3ccccc3O)c(/N=C/c3ccccc3O)cc2nc1C
InChIInChI=1S/C40H52N4O2.C24H20N4O2/c1-23-24(2)44-34-20-32(42-22-26-16-28(38(6,7)8)18-30(36(26)46)40(12,13)14)31(19-33(34)43-23)41-21-25-15-27(37(3,4)5)17-29(35(25)45)39(9,10)11;1-15-16(2)28-22-12-20(26-14-18-8-4-6-10-24(18)30)19(11-21(22)27-15)25-13-17-7-3-5-9-23(17)29/h15-22,45-46H,1-14H3;3-14,29-30H,1-2H3/b41-21+,42-22+;25-13+,26-14+
InChIKeyZSTIXNBRFHLOBC-FNNQXHBXSA-N
XLogP15.51
TPSA181.92 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001017.33
LogP ≤ 515.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2,4-ditert-butyl-6-[[7-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol;2-[[7-[(2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol with MolForge

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Related Compounds

4-Tert-butyl-2-[9-(5-tert-butyl-2-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol
CID 135961655
4-Tert-butyl-2-[9-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-1,10-phenanthrolin-2-yl]-6-pyridin-2-ylphenol
CID 135961661
2-[[6-[(2-Hydroxyphenyl)methylideneamino]-1,10-phenanthrolin-5-yl]iminomethyl]phenol
CID 136610168
2,4-Ditert-butyl-6-[[6-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-1,10-phenanthrolin-5-yl]iminomethyl]phenol
CID 136648548
2-[5,10,11,16,17-Pentakis(2-hydroxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaen-4-yl]phenol
CID 136732194
ZINC;2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenazin-2-yl]iminomethyl]phenolate;methylsulfinylmethane
CID 139163554
ZINC;2-tert-butyl-6-[[3-[(3-tert-butyl-2-oxidophenyl)methylideneamino]phenazin-2-yl]iminomethyl]phenolate;methylsulfinylmethane
CID 139163555
Cu[Di-tert-butylsal-phenazine]
CID 139165734
ZINC;2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenazin-2-yl]iminomethyl]phenolate;methanol
CID 139169200
2,4-Ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]phenazin-2-yl]iminomethyl]phenolate;oxygen(2-);vanadium(4+)
CID 139169201
4-[[4-[Bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol;quinoxaline
CID 139176331
Bis(4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol);phenazine
CID 139176334

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[[7-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol;2-[[7-[(2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[[7-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol;2-[[7-[(2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol (CID 162210304) is 2,4-ditert-butyl-6-[[7-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol;2-[[7-[(2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[[7-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol;2-[[7-[(2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[[7-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol;2-[[7-[(2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol is Cc1nc2cc(/N=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)c(/N=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)cc2nc1C.Cc1nc2cc(/N=C/c3ccccc3O)c(/N=C/c3ccccc3O)cc2nc1C.
What is the InChIKey of 2,4-ditert-butyl-6-[[7-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol;2-[[7-[(2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol?
The InChIKey is ZSTIXNBRFHLOBC-FNNQXHBXSA-N. The full InChI is InChI=1S/C40H52N4O2.C24H20N4O2/c1-23-24(2)44-34-20-32(42-22-26-16-28(38(6,7)8)18-30(36(26)46)40(12,13)14)31(19-33(34)43-23)41-21-25-15-27(37(3,4)5)17-29(35(25)45)39(9,10)11;1-15-16(2)28-22-12-20(26-14-18-8-4-6-10-24(18)30)19(11-21(22)27-15)25-13-17-7-3-5-9-23(17)29/h15-22,45-46H,1-14H3;3-14,29-30H,1-2H3/b41-21+,42-22+;25-13+,26-14+.
What are the key properties of 2,4-ditert-butyl-6-[[7-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol;2-[[7-[(2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol?
2,4-ditert-butyl-6-[[7-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol;2-[[7-[(2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol has a molecular weight of 1017.33 g/mol, XLogP of 15.51, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[[7-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol;2-[[7-[(2-hydroxyphenyl)methylideneamino]-2,3-dimethylquinoxalin-6-yl]iminomethyl]phenol is sourced from PubChem (CID 162210304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).