2-[2-hydroxy-5-[(4-nitrophenyl)methylideneamino]phenyl]-4-[(4-nitrophenyl)methylideneamino]phenol

C26H18N4O6 — CID 71362397

IUPAC2-[2-hydroxy-5-[(4-nitrophenyl)methylideneamino]phenyl]-4-[(4-nitrophenyl)methylideneamino]phenol
SMILESO=[N+]([O-])c1ccc(/C=N/c2ccc(O)c(-c3cc(/N=C/c4ccc([N+](=O)[O-])cc4)ccc3O)c2)cc1
InChIInChI=1S/C26H18N4O6/c31-25-11-5-19(27-15-17-1-7-21(8-2-17)29(33)34)13-23(25)24-14-20(6-12-26(24)32)28-16-18-3-9-22(10-4-18)30(35)36/h1-16,31-32H/b27-15+,28-16+
InChIKeyGPOJHVIXMGZAMS-DPCVLPDWSA-N
MW482.45 g/mol
LogP6.08
Rot. Bonds7

About 2-[2-hydroxy-5-[(4-nitrophenyl)methylideneamino]phenyl]-4-[(4-nitrophenyl)methylideneamino]phenol

2-[2-hydroxy-5-[(4-nitrophenyl)methylideneamino]phenyl]-4-[(4-nitrophenyl)methylideneamino]phenol (PubChem CID 71362397) has the molecular formula C26H18N4O6 and a molecular weight of 482.45 g/mol. Its IUPAC name is 2-[2-hydroxy-5-[(4-nitrophenyl)methylideneamino]phenyl]-4-[(4-nitrophenyl)methylideneamino]phenol.

Molecular Properties

Compound Name2-[2-hydroxy-5-[(4-nitrophenyl)methylideneamino]phenyl]-4-[(4-nitrophenyl)methylideneamino]phenol
PubChem CID71362397
Molecular FormulaC26H18N4O6
Molecular Weight482.45 g/mol
Exact Mass482.12
IUPAC Name2-[2-hydroxy-5-[(4-nitrophenyl)methylideneamino]phenyl]-4-[(4-nitrophenyl)methylideneamino]phenol
SMILESO=[N+]([O-])c1ccc(/C=N/c2ccc(O)c(-c3cc(/N=C/c4ccc([N+](=O)[O-])cc4)ccc3O)c2)cc1
InChIInChI=1S/C26H18N4O6/c31-25-11-5-19(27-15-17-1-7-21(8-2-17)29(33)34)13-23(25)24-14-20(6-12-26(24)32)28-16-18-3-9-22(10-4-18)30(35)36/h1-16,31-32H/b27-15+,28-16+
InChIKeyGPOJHVIXMGZAMS-DPCVLPDWSA-N
XLogP6.08
TPSA151.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.45
LogP ≤ 56.08
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'}

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Related Compounds

4-nitro-2-[(4-nitrophenyl)methylideneamino]phenol
CID 4006870
N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine
CID 826826
N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine
CID 554970
1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine
CID 4290678
4-[(4-nitrophenyl)iminomethyl]aniline
CID 15515058
2-[(4-methylphenyl)methylideneamino]-4-nitrophenol
CID 690997
N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine
CID 690795
4-[[4-(2-chloro-5-nitrophenyl)phenyl]methylideneamino]phenol
CID 122518423
1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine
CID 102486520
1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone
CID 620155
1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine
CID 21177104
N-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)methanimine
CID 964364

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-5-[(4-nitrophenyl)methylideneamino]phenyl]-4-[(4-nitrophenyl)methylideneamino]phenol?
The IUPAC name of 2-[2-hydroxy-5-[(4-nitrophenyl)methylideneamino]phenyl]-4-[(4-nitrophenyl)methylideneamino]phenol (CID 71362397) is 2-[2-hydroxy-5-[(4-nitrophenyl)methylideneamino]phenyl]-4-[(4-nitrophenyl)methylideneamino]phenol.
What is the SMILES notation for 2-[2-hydroxy-5-[(4-nitrophenyl)methylideneamino]phenyl]-4-[(4-nitrophenyl)methylideneamino]phenol?
The canonical SMILES for 2-[2-hydroxy-5-[(4-nitrophenyl)methylideneamino]phenyl]-4-[(4-nitrophenyl)methylideneamino]phenol is O=[N+]([O-])c1ccc(/C=N/c2ccc(O)c(-c3cc(/N=C/c4ccc([N+](=O)[O-])cc4)ccc3O)c2)cc1.
What is the InChIKey of 2-[2-hydroxy-5-[(4-nitrophenyl)methylideneamino]phenyl]-4-[(4-nitrophenyl)methylideneamino]phenol?
The InChIKey is GPOJHVIXMGZAMS-DPCVLPDWSA-N. The full InChI is InChI=1S/C26H18N4O6/c31-25-11-5-19(27-15-17-1-7-21(8-2-17)29(33)34)13-23(25)24-14-20(6-12-26(24)32)28-16-18-3-9-22(10-4-18)30(35)36/h1-16,31-32H/b27-15+,28-16+.
What are the key properties of 2-[2-hydroxy-5-[(4-nitrophenyl)methylideneamino]phenyl]-4-[(4-nitrophenyl)methylideneamino]phenol?
2-[2-hydroxy-5-[(4-nitrophenyl)methylideneamino]phenyl]-4-[(4-nitrophenyl)methylideneamino]phenol has a molecular weight of 482.45 g/mol, XLogP of 6.08, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-5-[(4-nitrophenyl)methylideneamino]phenyl]-4-[(4-nitrophenyl)methylideneamino]phenol is sourced from PubChem (CID 71362397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).