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

C26H20N2O2Se2 — CID 102341808

IUPAC2-[[2-[[2-[(2-hydroxyphenyl)iminomethyl]phenyl]diselanyl]phenyl]methylideneamino]phenol
SMILESOc1ccccc1/N=C/c1ccccc1[Se][Se]c1ccccc1/C=N/c1ccccc1O
InChIInChI=1S/C26H20N2O2Se2/c29-23-13-5-3-11-21(23)27-17-19-9-1-7-15-25(19)31-32-26-16-8-2-10-20(26)18-28-22-12-4-6-14-24(22)30/h1-18,29-30H/b27-17+,28-18+
InChIKeyRFTBLNXPFFGQCH-XUIWWLCJSA-N
MW550.38 g/mol
LogP3.87
Rot. Bonds7

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

2-[[2-[[2-[(2-hydroxyphenyl)iminomethyl]phenyl]diselanyl]phenyl]methylideneamino]phenol (PubChem CID 102341808) has the molecular formula C26H20N2O2Se2 and a molecular weight of 550.38 g/mol. Its IUPAC name is 2-[[2-[[2-[(2-hydroxyphenyl)iminomethyl]phenyl]diselanyl]phenyl]methylideneamino]phenol.

Molecular Properties

Compound Name2-[[2-[[2-[(2-hydroxyphenyl)iminomethyl]phenyl]diselanyl]phenyl]methylideneamino]phenol
PubChem CID102341808
Molecular FormulaC26H20N2O2Se2
Molecular Weight550.38 g/mol
Exact Mass551.99
IUPAC Name2-[[2-[[2-[(2-hydroxyphenyl)iminomethyl]phenyl]diselanyl]phenyl]methylideneamino]phenol
SMILESOc1ccccc1/N=C/c1ccccc1[Se][Se]c1ccccc1/C=N/c1ccccc1O
InChIInChI=1S/C26H20N2O2Se2/c29-23-13-5-3-11-21(23)27-17-19-9-1-7-15-25(19)31-32-26-16-8-2-10-20(26)18-28-22-12-4-6-14-24(22)30/h1-18,29-30H/b27-17+,28-18+
InChIKeyRFTBLNXPFFGQCH-XUIWWLCJSA-N
XLogP3.87
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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)iminomethyl]phenyl]diselanyl]phenyl]methylideneamino]phenol?
The IUPAC name of 2-[[2-[[2-[(2-hydroxyphenyl)iminomethyl]phenyl]diselanyl]phenyl]methylideneamino]phenol (CID 102341808) is 2-[[2-[[2-[(2-hydroxyphenyl)iminomethyl]phenyl]diselanyl]phenyl]methylideneamino]phenol.
What is the SMILES notation for 2-[[2-[[2-[(2-hydroxyphenyl)iminomethyl]phenyl]diselanyl]phenyl]methylideneamino]phenol?
The canonical SMILES for 2-[[2-[[2-[(2-hydroxyphenyl)iminomethyl]phenyl]diselanyl]phenyl]methylideneamino]phenol is Oc1ccccc1/N=C/c1ccccc1[Se][Se]c1ccccc1/C=N/c1ccccc1O.
What is the InChIKey of 2-[[2-[[2-[(2-hydroxyphenyl)iminomethyl]phenyl]diselanyl]phenyl]methylideneamino]phenol?
The InChIKey is RFTBLNXPFFGQCH-XUIWWLCJSA-N. The full InChI is InChI=1S/C26H20N2O2Se2/c29-23-13-5-3-11-21(23)27-17-19-9-1-7-15-25(19)31-32-26-16-8-2-10-20(26)18-28-22-12-4-6-14-24(22)30/h1-18,29-30H/b27-17+,28-18+.
What are the key properties of 2-[[2-[[2-[(2-hydroxyphenyl)iminomethyl]phenyl]diselanyl]phenyl]methylideneamino]phenol?
2-[[2-[[2-[(2-hydroxyphenyl)iminomethyl]phenyl]diselanyl]phenyl]methylideneamino]phenol has a molecular weight of 550.38 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[(2-hydroxyphenyl)iminomethyl]phenyl]diselanyl]phenyl]methylideneamino]phenol is sourced from PubChem (CID 102341808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).