2,4-ditert-butyl-6-[[2-[(E)-(5-hexadecoxy-2-hydroxyphenyl)methylideneamino]-3-pyridinyl]iminomethyl]phenol

C43H63N3O3 — CID 177498624

IUPAC2,4-ditert-butyl-6-[[2-[(E)-(5-hexadecoxy-2-hydroxyphenyl)methylideneamino]-3-pyridinyl]iminomethyl]phenol
SMILESCCCCCCCCCCCCCCCCOc1ccc(O)c(/C=N/c2ncccc2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1
InChIInChI=1S/C43H63N3O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-49-36-24-25-39(47)33(29-36)31-46-41-38(23-22-26-44-41)45-32-34-28-35(42(2,3)4)30-37(40(34)48)43(5,6)7/h22-26,28-32,47-48H,8-21,27H2,1-7H3/b45-32+,46-31+
InChIKeyJYBBDFNJUTVCBL-UNXICQBGSA-N
MW670.00 g/mol
LogP12.45
Rot. Bonds20

About 2,4-ditert-butyl-6-[[2-[(E)-(5-hexadecoxy-2-hydroxyphenyl)methylideneamino]-3-pyridinyl]iminomethyl]phenol

2,4-ditert-butyl-6-[[2-[(E)-(5-hexadecoxy-2-hydroxyphenyl)methylideneamino]-3-pyridinyl]iminomethyl]phenol (PubChem CID 177498624) has the molecular formula C43H63N3O3 and a molecular weight of 670.00 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[[2-[(E)-(5-hexadecoxy-2-hydroxyphenyl)methylideneamino]-3-pyridinyl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[[2-[(E)-(5-hexadecoxy-2-hydroxyphenyl)methylideneamino]-3-pyridinyl]iminomethyl]phenol
PubChem CID177498624
Molecular FormulaC43H63N3O3
Molecular Weight670.00 g/mol
Exact Mass669.49
IUPAC Name2,4-ditert-butyl-6-[[2-[(E)-(5-hexadecoxy-2-hydroxyphenyl)methylideneamino]-3-pyridinyl]iminomethyl]phenol
SMILESCCCCCCCCCCCCCCCCOc1ccc(O)c(/C=N/c2ncccc2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1
InChIInChI=1S/C43H63N3O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-49-36-24-25-39(47)33(29-36)31-46-41-38(23-22-26-44-41)45-32-34-28-35(42(2,3)4)30-37(40(34)48)43(5,6)7/h22-26,28-32,47-48H,8-21,27H2,1-7H3/b45-32+,46-31+
InChIKeyJYBBDFNJUTVCBL-UNXICQBGSA-N
XLogP12.45
TPSA87.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.00
LogP ≤ 512.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,4-ditert-butyl-6-[[2-[(E)-(5-hexadecoxy-2-hydroxyphenyl)methylideneamino]-3-pyridinyl]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

5-decoxy-2-[[2-[(E)-(4-decoxy-2-hydroxyphenyl)methylideneamino]-3-pyridinyl]iminomethyl]phenol
CID 177472092
2-[2-[(2-hydroxy-5-icosoxyphenyl)methylideneamino]ethyliminomethyl]-4-icosoxyphenol
CID 136723269
chromium;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;ethane
CID 155737356
2-tert-butyl-4-tetradecoxyphenol
CID 19014137
3-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]-4-hydroxybenzaldehyde
CID 175778675
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-sulfanylphenyl)iminomethyl]phenol;titanium
CID 160643890
2-[[4-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]phenyl]iminomethyl]-5-octadecoxyphenol
CID 136722312
2-[(4-octoxyphenyl)iminomethyl]-5-pentoxyphenol
CID 136805594
2-[(4-hexoxyphenyl)iminomethyl]-5-octoxyphenol
CID 136805582
2-[[4-[11-[4-[(2-hydroxy-4-octoxyphenyl)methylideneamino]phenoxy]undecoxy]phenyl]iminomethyl]-5-octoxyphenol
CID 136872509

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[[2-[(E)-(5-hexadecoxy-2-hydroxyphenyl)methylideneamino]-3-pyridinyl]iminomethyl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[[2-[(E)-(5-hexadecoxy-2-hydroxyphenyl)methylideneamino]-3-pyridinyl]iminomethyl]phenol (CID 177498624) is 2,4-ditert-butyl-6-[[2-[(E)-(5-hexadecoxy-2-hydroxyphenyl)methylideneamino]-3-pyridinyl]iminomethyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[[2-[(E)-(5-hexadecoxy-2-hydroxyphenyl)methylideneamino]-3-pyridinyl]iminomethyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[[2-[(E)-(5-hexadecoxy-2-hydroxyphenyl)methylideneamino]-3-pyridinyl]iminomethyl]phenol is CCCCCCCCCCCCCCCCOc1ccc(O)c(/C=N/c2ncccc2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[[2-[(E)-(5-hexadecoxy-2-hydroxyphenyl)methylideneamino]-3-pyridinyl]iminomethyl]phenol?
The InChIKey is JYBBDFNJUTVCBL-UNXICQBGSA-N. The full InChI is InChI=1S/C43H63N3O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-49-36-24-25-39(47)33(29-36)31-46-41-38(23-22-26-44-41)45-32-34-28-35(42(2,3)4)30-37(40(34)48)43(5,6)7/h22-26,28-32,47-48H,8-21,27H2,1-7H3/b45-32+,46-31+.
What are the key properties of 2,4-ditert-butyl-6-[[2-[(E)-(5-hexadecoxy-2-hydroxyphenyl)methylideneamino]-3-pyridinyl]iminomethyl]phenol?
2,4-ditert-butyl-6-[[2-[(E)-(5-hexadecoxy-2-hydroxyphenyl)methylideneamino]-3-pyridinyl]iminomethyl]phenol has a molecular weight of 670.00 g/mol, XLogP of 12.45, 20 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-[(E)-(5-hexadecoxy-2-hydroxyphenyl)methylideneamino]-3-pyridinyl]iminomethyl]phenol is sourced from PubChem (CID 177498624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).