2-[[2-[2-[2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]iminomethyl]-4-nitrophenol

C32H30N4O10 — CID 3429758

IUPAC2-[[2-[2-[2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]iminomethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/c2ccccc2OCCOCCOCCOc2ccccc2/N=C/c2cc([N+](=O)[O-])ccc2O)c1
InChIInChI=1S/C32H30N4O10/c37-29-11-9-25(35(39)40)19-23(29)21-33-27-5-1-3-7-31(27)45-17-15-43-13-14-44-16-18-46-32-8-4-2-6-28(32)34-22-24-20-26(36(41)42)10-12-30(24)38/h1-12,19-22,37-38H,13-18H2/b33-21+,34-22+
InChIKeyZTYAPKGRZQIRPO-WXGDAXOSSA-N
MW630.61 g/mol
LogP5.91
Rot. Bonds17

About 2-[[2-[2-[2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]iminomethyl]-4-nitrophenol

2-[[2-[2-[2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]iminomethyl]-4-nitrophenol (PubChem CID 3429758) has the molecular formula C32H30N4O10 and a molecular weight of 630.61 g/mol. Its IUPAC name is 2-[[2-[2-[2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]iminomethyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[[2-[2-[2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]iminomethyl]-4-nitrophenol
PubChem CID3429758
Molecular FormulaC32H30N4O10
Molecular Weight630.61 g/mol
Exact Mass630.20
IUPAC Name2-[[2-[2-[2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]iminomethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/c2ccccc2OCCOCCOCCOc2ccccc2/N=C/c2cc([N+](=O)[O-])ccc2O)c1
InChIInChI=1S/C32H30N4O10/c37-29-11-9-25(35(39)40)19-23(29)21-33-27-5-1-3-7-31(27)45-17-15-43-13-14-44-16-18-46-32-8-4-2-6-28(32)34-22-24-20-26(36(41)42)10-12-30(24)38/h1-12,19-22,37-38H,13-18H2/b33-21+,34-22+
InChIKeyZTYAPKGRZQIRPO-WXGDAXOSSA-N
XLogP5.91
TPSA188.38 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500630.61
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[2-[2-[2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]iminomethyl]-4-nitrophenol 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

4-nitro-2-[[2-[2-[2-[2-[2-[(5-nitro-2-oxidophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]iminomethyl]phenolate
CID 7072618
2-[[2-[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]ethoxy]phenyl]iminomethyl]phenol
CID 136857641
1-(2-nitrophenyl)-N-[2-[2-[2-[2-[2-[(2-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanimine
CID 3758923
2-[[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]phenyl]iminomethyl]phenol
CID 3742462
2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol
CID 135595595
2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol
CID 2838677
2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 5072766
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol
CID 177498703
2-[(2,4-dinitrophenyl)methylideneamino]phenol
CID 102417808
2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol
CID 4595228
2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol
CID 3111519
2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol
CID 3683994

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]iminomethyl]-4-nitrophenol?
The IUPAC name of 2-[[2-[2-[2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]iminomethyl]-4-nitrophenol (CID 3429758) is 2-[[2-[2-[2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]iminomethyl]-4-nitrophenol.
What is the SMILES notation for 2-[[2-[2-[2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]iminomethyl]-4-nitrophenol?
The canonical SMILES for 2-[[2-[2-[2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]iminomethyl]-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(/C=N/c2ccccc2OCCOCCOCCOc2ccccc2/N=C/c2cc([N+](=O)[O-])ccc2O)c1.
What is the InChIKey of 2-[[2-[2-[2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]iminomethyl]-4-nitrophenol?
The InChIKey is ZTYAPKGRZQIRPO-WXGDAXOSSA-N. The full InChI is InChI=1S/C32H30N4O10/c37-29-11-9-25(35(39)40)19-23(29)21-33-27-5-1-3-7-31(27)45-17-15-43-13-14-44-16-18-46-32-8-4-2-6-28(32)34-22-24-20-26(36(41)42)10-12-30(24)38/h1-12,19-22,37-38H,13-18H2/b33-21+,34-22+.
What are the key properties of 2-[[2-[2-[2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]iminomethyl]-4-nitrophenol?
2-[[2-[2-[2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]iminomethyl]-4-nitrophenol has a molecular weight of 630.61 g/mol, XLogP of 5.91, 17 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]iminomethyl]-4-nitrophenol is sourced from PubChem (CID 3429758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).