2,4-ditert-butyl-6-[[2-(2,6-dimethylphenoxy)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(N-methylanilino)phenyl]iminomethyl]phenol

C57H69N3O3 — CID 137057879

IUPAC2,4-ditert-butyl-6-[[2-(2,6-dimethylphenoxy)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(N-methylanilino)phenyl]iminomethyl]phenol
SMILESCN(c1ccccc1)c1ccccc1/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.Cc1cccc(C)c1Oc1ccccc1/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C29H35NO2.C28H34N2O/c1-19-12-11-13-20(2)27(19)32-25-15-10-9-14-24(25)30-18-21-16-22(28(3,4)5)17-23(26(21)31)29(6,7)8;1-27(2,3)21-17-20(26(31)23(18-21)28(4,5)6)19-29-24-15-11-12-16-25(24)30(7)22-13-9-8-10-14-22/h9-18,31H,1-8H3;8-19,31H,1-7H3/b30-18+;29-19+
InChIKeyWBLORPIZJYBDPI-UAJCWNSASA-N
MW844.20 g/mol
LogP15.65
Rot. Bonds8

About 2,4-ditert-butyl-6-[[2-(2,6-dimethylphenoxy)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(N-methylanilino)phenyl]iminomethyl]phenol

2,4-ditert-butyl-6-[[2-(2,6-dimethylphenoxy)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(N-methylanilino)phenyl]iminomethyl]phenol (PubChem CID 137057879) has the molecular formula C57H69N3O3 and a molecular weight of 844.20 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[[2-(2,6-dimethylphenoxy)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(N-methylanilino)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[[2-(2,6-dimethylphenoxy)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(N-methylanilino)phenyl]iminomethyl]phenol
PubChem CID137057879
Molecular FormulaC57H69N3O3
Molecular Weight844.20 g/mol
Exact Mass843.53
IUPAC Name2,4-ditert-butyl-6-[[2-(2,6-dimethylphenoxy)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(N-methylanilino)phenyl]iminomethyl]phenol
SMILESCN(c1ccccc1)c1ccccc1/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.Cc1cccc(C)c1Oc1ccccc1/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C29H35NO2.C28H34N2O/c1-19-12-11-13-20(2)27(19)32-25-15-10-9-14-24(25)30-18-21-16-22(28(3,4)5)17-23(26(21)31)29(6,7)8;1-27(2,3)21-17-20(26(31)23(18-21)28(4,5)6)19-29-24-15-11-12-16-25(24)30(7)22-13-9-8-10-14-22/h9-18,31H,1-8H3;8-19,31H,1-7H3/b30-18+;29-19+
InChIKeyWBLORPIZJYBDPI-UAJCWNSASA-N
XLogP15.65
TPSA77.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.20
LogP ≤ 515.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,4-ditert-butyl-6-[[2-(2,6-dimethylphenoxy)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(N-methylanilino)phenyl]iminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-ditert-butyl-6-[[2-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol
CID 137211461
2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135980173
2,4-ditert-butyl-6-[[2-(2,3,4,6-tetrafluoro-5-methylphenoxy)phenyl]iminomethyl]phenol;trichlorotitanium
CID 162285378
2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol;ethane;toluene
CID 143795526
chromium;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;ethane
CID 155737356
2-tert-butyl-6-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
CID 158206188
2,4-ditert-butyl-6-[(2-sulfanylphenyl)iminomethyl]phenol;titanium
CID 160643890
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-N-methylanilino]methyl]phenol;hafnium;methanidylbenzene
CID 140691855
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde
CID 135980172
2,4-ditert-butyl-6-[[2-[[3,5-ditert-butyl-2-[chloro(methyl)alumanyl]oxyphenyl]methylideneamino]phenyl]iminomethyl]phenol
CID 155648257
CID 162278985
CID 162278985
1-(3,5-ditert-butyl-2-methoxyphenyl)-N-[2-(2,3,4,5,6-pentafluorophenoxy)phenyl]methanimine
CID 143795555

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[[2-(2,6-dimethylphenoxy)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(N-methylanilino)phenyl]iminomethyl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[[2-(2,6-dimethylphenoxy)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(N-methylanilino)phenyl]iminomethyl]phenol (CID 137057879) is 2,4-ditert-butyl-6-[[2-(2,6-dimethylphenoxy)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(N-methylanilino)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[[2-(2,6-dimethylphenoxy)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(N-methylanilino)phenyl]iminomethyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[[2-(2,6-dimethylphenoxy)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(N-methylanilino)phenyl]iminomethyl]phenol is CN(c1ccccc1)c1ccccc1/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.Cc1cccc(C)c1Oc1ccccc1/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,4-ditert-butyl-6-[[2-(2,6-dimethylphenoxy)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(N-methylanilino)phenyl]iminomethyl]phenol?
The InChIKey is WBLORPIZJYBDPI-UAJCWNSASA-N. The full InChI is InChI=1S/C29H35NO2.C28H34N2O/c1-19-12-11-13-20(2)27(19)32-25-15-10-9-14-24(25)30-18-21-16-22(28(3,4)5)17-23(26(21)31)29(6,7)8;1-27(2,3)21-17-20(26(31)23(18-21)28(4,5)6)19-29-24-15-11-12-16-25(24)30(7)22-13-9-8-10-14-22/h9-18,31H,1-8H3;8-19,31H,1-7H3/b30-18+;29-19+.
What are the key properties of 2,4-ditert-butyl-6-[[2-(2,6-dimethylphenoxy)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(N-methylanilino)phenyl]iminomethyl]phenol?
2,4-ditert-butyl-6-[[2-(2,6-dimethylphenoxy)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(N-methylanilino)phenyl]iminomethyl]phenol has a molecular weight of 844.20 g/mol, XLogP of 15.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[[2-(2,6-dimethylphenoxy)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(N-methylanilino)phenyl]iminomethyl]phenol is sourced from PubChem (CID 137057879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).