2-[[4-[[4-[(2-hydroxy-5-methyl-3-nitrophenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-4-methyl-6-nitrophenol

C29H24N4O6 — CID 4248797

IUPAC2-[[4-[[4-[(2-hydroxy-5-methyl-3-nitrophenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-4-methyl-6-nitrophenol
SMILESCc1cc(/C=N/c2ccc(Cc3ccc(/N=C/c4cc(C)cc([N+](=O)[O-])c4O)cc3)cc2)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C29H24N4O6/c1-18-11-22(28(34)26(13-18)32(36)37)16-30-24-7-3-20(4-8-24)15-21-5-9-25(10-6-21)31-17-23-12-19(2)14-27(29(23)35)33(38)39/h3-14,16-17,34-35H,15H2,1-2H3/b30-16+,31-17+
InChIKeyQEPBJLJJVFEHPM-RVSCTIAXSA-N
MW524.53 g/mol
LogP6.62
Rot. Bonds8

About 2-[[4-[[4-[(2-hydroxy-5-methyl-3-nitrophenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-4-methyl-6-nitrophenol

2-[[4-[[4-[(2-hydroxy-5-methyl-3-nitrophenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-4-methyl-6-nitrophenol (PubChem CID 4248797) has the molecular formula C29H24N4O6 and a molecular weight of 524.53 g/mol. Its IUPAC name is 2-[[4-[[4-[(2-hydroxy-5-methyl-3-nitrophenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-4-methyl-6-nitrophenol.

Molecular Properties

Compound Name2-[[4-[[4-[(2-hydroxy-5-methyl-3-nitrophenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-4-methyl-6-nitrophenol
PubChem CID4248797
Molecular FormulaC29H24N4O6
Molecular Weight524.53 g/mol
Exact Mass524.17
IUPAC Name2-[[4-[[4-[(2-hydroxy-5-methyl-3-nitrophenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-4-methyl-6-nitrophenol
SMILESCc1cc(/C=N/c2ccc(Cc3ccc(/N=C/c4cc(C)cc([N+](=O)[O-])c4O)cc3)cc2)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C29H24N4O6/c1-18-11-22(28(34)26(13-18)32(36)37)16-30-24-7-3-20(4-8-24)15-21-5-9-25(10-6-21)31-17-23-12-19(2)14-27(29(23)35)33(38)39/h3-14,16-17,34-35H,15H2,1-2H3/b30-16+,31-17+
InChIKeyQEPBJLJJVFEHPM-RVSCTIAXSA-N
XLogP6.62
TPSA151.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.53
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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-[[4-[[4-[(2-hydroxy-5-methyl-3-nitrophenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-4-methyl-6-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

2-[(4-bromophenyl)iminomethyl]-4-methyl-6-nitrophenol
CID 683751
2-[(4-ethoxyphenyl)iminomethyl]-4-methyl-6-nitrophenol
CID 3590766
methyl 4-[(2-hydroxy-5-methyl-3-nitrophenyl)methylideneamino]benzoate
CID 4230242
4-benzyl-2-[[4-(dimethylamino)phenyl]iminomethyl]-6-nitrophenol
CID 3587878
1-[4-[(5-benzyl-2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]ethanone
CID 4086313
butyl 4-[(2-hydroxy-5-methyl-3-nitrophenyl)methylideneamino]benzoate
CID 3682164
4-benzyl-2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenol
CID 3923756
2-[[2-[(2S)-butan-2-yl]phenyl]iminomethyl]-4-methyl-6-nitrophenol
CID 959772
2-[(5-bromo-2-pyridinyl)iminomethyl]-4-methyl-6-nitrophenol
CID 1421237
4-methyl-2-nitro-6-[(E)-1,2,4-triazol-4-yliminomethyl]phenol
CID 135421623
4-chloro-2-[(4-methoxyphenyl)iminomethyl]-6-nitrophenol
CID 135595071
4-chloro-2-[(3-ethylphenyl)iminomethyl]-6-nitrophenol
CID 135595533

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[4-[(2-hydroxy-5-methyl-3-nitrophenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-4-methyl-6-nitrophenol?
The IUPAC name of 2-[[4-[[4-[(2-hydroxy-5-methyl-3-nitrophenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-4-methyl-6-nitrophenol (CID 4248797) is 2-[[4-[[4-[(2-hydroxy-5-methyl-3-nitrophenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-4-methyl-6-nitrophenol.
What is the SMILES notation for 2-[[4-[[4-[(2-hydroxy-5-methyl-3-nitrophenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-4-methyl-6-nitrophenol?
The canonical SMILES for 2-[[4-[[4-[(2-hydroxy-5-methyl-3-nitrophenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-4-methyl-6-nitrophenol is Cc1cc(/C=N/c2ccc(Cc3ccc(/N=C/c4cc(C)cc([N+](=O)[O-])c4O)cc3)cc2)c(O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[[4-[[4-[(2-hydroxy-5-methyl-3-nitrophenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-4-methyl-6-nitrophenol?
The InChIKey is QEPBJLJJVFEHPM-RVSCTIAXSA-N. The full InChI is InChI=1S/C29H24N4O6/c1-18-11-22(28(34)26(13-18)32(36)37)16-30-24-7-3-20(4-8-24)15-21-5-9-25(10-6-21)31-17-23-12-19(2)14-27(29(23)35)33(38)39/h3-14,16-17,34-35H,15H2,1-2H3/b30-16+,31-17+.
What are the key properties of 2-[[4-[[4-[(2-hydroxy-5-methyl-3-nitrophenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-4-methyl-6-nitrophenol?
2-[[4-[[4-[(2-hydroxy-5-methyl-3-nitrophenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-4-methyl-6-nitrophenol has a molecular weight of 524.53 g/mol, XLogP of 6.62, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[4-[(2-hydroxy-5-methyl-3-nitrophenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-4-methyl-6-nitrophenol is sourced from PubChem (CID 4248797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).