2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]phenol

C31H38N2O2 — CID 136835974

IUPAC2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]phenol
SMILESCc1cc(C)c(/N=C/c2cccc(C(C)(C)C)c2O)c(C)c1/N=C/c1cccc(C(C)(C)C)c1O
InChIInChI=1S/C31H38N2O2/c1-19-16-20(2)27(33-18-23-13-11-15-25(29(23)35)31(7,8)9)21(3)26(19)32-17-22-12-10-14-24(28(22)34)30(4,5)6/h10-18,34-35H,1-9H3/b32-17+,33-18+
InChIKeyBQODUYPQHINAGI-NIRJMVPRSA-N
MW470.66 g/mol
LogP8.12
Rot. Bonds4

About 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]phenol

2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]phenol (PubChem CID 136835974) has the molecular formula C31H38N2O2 and a molecular weight of 470.66 g/mol. Its IUPAC name is 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]phenol
PubChem CID136835974
Molecular FormulaC31H38N2O2
Molecular Weight470.66 g/mol
Exact Mass470.29
IUPAC Name2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]phenol
SMILESCc1cc(C)c(/N=C/c2cccc(C(C)(C)C)c2O)c(C)c1/N=C/c1cccc(C(C)(C)C)c1O
InChIInChI=1S/C31H38N2O2/c1-19-16-20(2)27(33-18-23-13-11-15-25(29(23)35)31(7,8)9)21(3)26(19)32-17-22-12-10-14-24(28(22)34)30(4,5)6/h10-18,34-35H,1-9H3/b32-17+,33-18+
InChIKeyBQODUYPQHINAGI-NIRJMVPRSA-N
XLogP8.12
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.66
LogP ≤ 58.12
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-[[4-[bis[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-(4-methylphenyl)methyl]phenyl]iminomethyl]-6-tert-butylphenol
CID 136635876
2-tert-butyl-6-[[2,4,6-tris(pentafluoro-λ6-sulfanyl)phenyl]iminomethyl]phenol
CID 153465269
bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium
CID 139242538
2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol
CID 140501402
2-[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-methylphenol
CID 140501290
2-tert-butyl-6-[(2,6-dicyclohexylphenyl)iminomethyl]phenol
CID 137225880
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-1-methylpyridin-1-ium-4-yl]iminomethyl]phenol
CID 139043422
2-tert-butyl-6-[(2,6-dimethylphenyl)iminomethyl]-4-methoxyphenol
CID 137088814
2-tert-butyl-6-methylphenol
CID 16678
2-tert-butyl-6-(naphthalen-1-yliminomethyl)phenol;dichlorotitanium
CID 175087881
2-[[3,5-bis(trimethylsilyl)phenyl]iminomethyl]-6-tert-butylphenol;dichlorozirconium
CID 137156914
2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol
CID 135414322

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]phenol?
The IUPAC name of 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]phenol (CID 136835974) is 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]phenol is Cc1cc(C)c(/N=C/c2cccc(C(C)(C)C)c2O)c(C)c1/N=C/c1cccc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]phenol?
The InChIKey is BQODUYPQHINAGI-NIRJMVPRSA-N. The full InChI is InChI=1S/C31H38N2O2/c1-19-16-20(2)27(33-18-23-13-11-15-25(29(23)35)31(7,8)9)21(3)26(19)32-17-22-12-10-14-24(28(22)34)30(4,5)6/h10-18,34-35H,1-9H3/b32-17+,33-18+.
What are the key properties of 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]phenol?
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]phenol has a molecular weight of 470.66 g/mol, XLogP of 8.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]phenol is sourced from PubChem (CID 136835974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).