2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol

C42H40N2O2 — CID 135414322

IUPAC2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol
SMILESCC(C)(C)c1cccc(/C=N/c2ccc3ccccc3c2-c2c(/N=C/c3cccc(C(C)(C)C)c3O)ccc3ccccc23)c1O
InChIInChI=1S/C42H40N2O2/c1-41(2,3)33-19-11-15-29(39(33)45)25-43-35-23-21-27-13-7-9-17-31(27)37(35)38-32-18-10-8-14-28(32)22-24-36(38)44-26-30-16-12-20-34(40(30)46)42(4,5)6/h7-26,45-46H,1-6H3/b43-25+,44-26+
InChIKeyITERUMNXUVYAIH-PJUICVFASA-N
MW604.79 g/mol
LogP11.17
Rot. Bonds5

About 2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol

2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol (PubChem CID 135414322) has the molecular formula C42H40N2O2 and a molecular weight of 604.79 g/mol. Its IUPAC name is 2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol
PubChem CID135414322
Molecular FormulaC42H40N2O2
Molecular Weight604.79 g/mol
Exact Mass604.31
IUPAC Name2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol
SMILESCC(C)(C)c1cccc(/C=N/c2ccc3ccccc3c2-c2c(/N=C/c3cccc(C(C)(C)C)c3O)ccc3ccccc23)c1O
InChIInChI=1S/C42H40N2O2/c1-41(2,3)33-19-11-15-29(39(33)45)25-43-35-23-21-27-13-7-9-17-31(27)37(35)38-32-18-10-8-14-28(32)22-24-36(38)44-26-30-16-12-20-34(40(30)46)42(4,5)6/h7-26,45-46H,1-6H3/b43-25+,44-26+
InChIKeyITERUMNXUVYAIH-PJUICVFASA-N
XLogP11.17
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.79
LogP ≤ 511.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-(naphthalen-1-yliminomethyl)phenol;dichlorotitanium
CID 175087881
4-bromo-2-[[1-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-tert-butylphenol
CID 136702081
2-[[1-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-methoxyphenol
CID 135858781
2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol
CID 140501402
bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium
CID 139242538
3-[[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]benzene-1,2-diol
CID 135878876
4-tert-butyl-2-[[1-[2-[(5-tert-butyl-2-hydroxy-3-phenylsulfanylphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-phenylsulfanylphenol;copper
CID 135442203
2-tert-butyl-6-[(2-propan-2-ylphenyl)iminomethyl]phenol;titanium(2+);dichloride
CID 175088591
1-(2-methoxyphenyl)-N-[1-[2-[(2-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
CID 11519235
2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol
CID 136912130
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-1-methylpyridin-1-ium-4-yl]iminomethyl]phenol
CID 139043422
4-bromo-2-[[5-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-6-tert-butylphenol
CID 135405998

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol?
The IUPAC name of 2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol (CID 135414322) is 2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol is CC(C)(C)c1cccc(/C=N/c2ccc3ccccc3c2-c2c(/N=C/c3cccc(C(C)(C)C)c3O)ccc3ccccc23)c1O.
What is the InChIKey of 2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol?
The InChIKey is ITERUMNXUVYAIH-PJUICVFASA-N. The full InChI is InChI=1S/C42H40N2O2/c1-41(2,3)33-19-11-15-29(39(33)45)25-43-35-23-21-27-13-7-9-17-31(27)37(35)38-32-18-10-8-14-28(32)22-24-36(38)44-26-30-16-12-20-34(40(30)46)42(4,5)6/h7-26,45-46H,1-6H3/b43-25+,44-26+.
What are the key properties of 2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol?
2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol has a molecular weight of 604.79 g/mol, XLogP of 11.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol is sourced from PubChem (CID 135414322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).