2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol

C34H36N2O2 — CID 140501402

IUPAC2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol
SMILESCC(C)(C)c1cccc(/C=N/c2ccccc2-c2ccccc2/N=C/c2cccc(C(C)(C)C)c2O)c1O
InChIInChI=1S/C34H36N2O2/c1-33(2,3)27-17-11-13-23(31(27)37)21-35-29-19-9-7-15-25(29)26-16-8-10-20-30(26)36-22-24-14-12-18-28(32(24)38)34(4,5)6/h7-22,37-38H,1-6H3/b35-21+,36-22+
InChIKeyVZAJPYKVPIPIAC-JTOYJDTJSA-N
MW504.67 g/mol
LogP8.86
Rot. Bonds5

About 2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol

2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol (PubChem CID 140501402) has the molecular formula C34H36N2O2 and a molecular weight of 504.67 g/mol. Its IUPAC name is 2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol
PubChem CID140501402
Molecular FormulaC34H36N2O2
Molecular Weight504.67 g/mol
Exact Mass504.28
IUPAC Name2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol
SMILESCC(C)(C)c1cccc(/C=N/c2ccccc2-c2ccccc2/N=C/c2cccc(C(C)(C)C)c2O)c1O
InChIInChI=1S/C34H36N2O2/c1-33(2,3)27-17-11-13-23(31(27)37)21-35-29-19-9-7-15-25(29)26-16-8-10-20-30(26)36-22-24-14-12-18-28(32(24)38)34(4,5)6/h7-22,37-38H,1-6H3/b35-21+,36-22+
InChIKeyVZAJPYKVPIPIAC-JTOYJDTJSA-N
XLogP8.86
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.67
LogP ≤ 58.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol?
The IUPAC name of 2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol (CID 140501402) is 2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol is CC(C)(C)c1cccc(/C=N/c2ccccc2-c2ccccc2/N=C/c2cccc(C(C)(C)C)c2O)c1O.
What is the InChIKey of 2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol?
The InChIKey is VZAJPYKVPIPIAC-JTOYJDTJSA-N. The full InChI is InChI=1S/C34H36N2O2/c1-33(2,3)27-17-11-13-23(31(27)37)21-35-29-19-9-7-15-25(29)26-16-8-10-20-30(26)36-22-24-14-12-18-28(32(24)38)34(4,5)6/h7-22,37-38H,1-6H3/b35-21+,36-22+.
What are the key properties of 2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol?
2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol has a molecular weight of 504.67 g/mol, XLogP of 8.86, 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-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol is sourced from PubChem (CID 140501402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).