2-[[2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]diazenyl]phenyl]iminomethyl]phenol

C26H20N4O2 — CID 135741305

IUPAC2-[[2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]diazenyl]phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccccc1/N=N/c1ccccc1/N=C/c1ccccc1O
InChIInChI=1S/C26H20N4O2/c31-25-15-7-1-9-19(25)17-27-21-11-3-5-13-23(21)29-30-24-14-6-4-12-22(24)28-18-20-10-2-8-16-26(20)32/h1-18,31-32H/b27-17+,28-18+,30-29+
InChIKeySOZKMMFWBXRDSE-VBJJXLHFSA-N
MW420.47 g/mol
LogP7.01
Rot. Bonds6

About 2-[[2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]diazenyl]phenyl]iminomethyl]phenol

2-[[2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]diazenyl]phenyl]iminomethyl]phenol (PubChem CID 135741305) has the molecular formula C26H20N4O2 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[[2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]diazenyl]phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]diazenyl]phenyl]iminomethyl]phenol
PubChem CID135741305
Molecular FormulaC26H20N4O2
Molecular Weight420.47 g/mol
Exact Mass420.16
IUPAC Name2-[[2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]diazenyl]phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccccc1/N=N/c1ccccc1/N=C/c1ccccc1O
InChIInChI=1S/C26H20N4O2/c31-25-15-7-1-9-19(25)17-27-21-11-3-5-13-23(21)29-30-24-14-6-4-12-22(24)28-18-20-10-2-8-16-26(20)32/h1-18,31-32H/b27-17+,28-18+,30-29+
InChIKeySOZKMMFWBXRDSE-VBJJXLHFSA-N
XLogP7.01
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]diazenyl]phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]diazenyl]phenyl]iminomethyl]phenol (CID 135741305) is 2-[[2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]diazenyl]phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]diazenyl]phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]diazenyl]phenyl]iminomethyl]phenol is Oc1ccccc1/C=N/c1ccccc1/N=N/c1ccccc1/N=C/c1ccccc1O.
What is the InChIKey of 2-[[2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]diazenyl]phenyl]iminomethyl]phenol?
The InChIKey is SOZKMMFWBXRDSE-VBJJXLHFSA-N. The full InChI is InChI=1S/C26H20N4O2/c31-25-15-7-1-9-19(25)17-27-21-11-3-5-13-23(21)29-30-24-14-6-4-12-22(24)28-18-20-10-2-8-16-26(20)32/h1-18,31-32H/b27-17+,28-18+,30-29+.
What are the key properties of 2-[[2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]diazenyl]phenyl]iminomethyl]phenol?
2-[[2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]diazenyl]phenyl]iminomethyl]phenol has a molecular weight of 420.47 g/mol, XLogP of 7.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]diazenyl]phenyl]iminomethyl]phenol is sourced from PubChem (CID 135741305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).