2-[[4-[[4-[(2-hydroxyphenyl)methylideneamino]phenyl]diselanyl]phenyl]iminomethyl]phenol

C26H20N2O2Se2 — CID 170941504

IUPAC2-[[4-[[4-[(2-hydroxyphenyl)methylideneamino]phenyl]diselanyl]phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc([Se][Se]c2ccc(/N=C/c3ccccc3O)cc2)cc1
InChIInChI=1S/C26H20N2O2Se2/c29-25-7-3-1-5-19(25)17-27-21-9-13-23(14-10-21)31-32-24-15-11-22(12-16-24)28-18-20-6-2-4-8-26(20)30/h1-18,29-30H/b27-17+,28-18+
InChIKeyADTCWZTVYVEAEP-XUIWWLCJSA-N
MW550.38 g/mol
LogP3.87
Rot. Bonds7

About 2-[[4-[[4-[(2-hydroxyphenyl)methylideneamino]phenyl]diselanyl]phenyl]iminomethyl]phenol

2-[[4-[[4-[(2-hydroxyphenyl)methylideneamino]phenyl]diselanyl]phenyl]iminomethyl]phenol (PubChem CID 170941504) has the molecular formula C26H20N2O2Se2 and a molecular weight of 550.38 g/mol. Its IUPAC name is 2-[[4-[[4-[(2-hydroxyphenyl)methylideneamino]phenyl]diselanyl]phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[4-[[4-[(2-hydroxyphenyl)methylideneamino]phenyl]diselanyl]phenyl]iminomethyl]phenol
PubChem CID170941504
Molecular FormulaC26H20N2O2Se2
Molecular Weight550.38 g/mol
Exact Mass551.99
IUPAC Name2-[[4-[[4-[(2-hydroxyphenyl)methylideneamino]phenyl]diselanyl]phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc([Se][Se]c2ccc(/N=C/c3ccccc3O)cc2)cc1
InChIInChI=1S/C26H20N2O2Se2/c29-25-7-3-1-5-19(25)17-27-21-9-13-23(14-10-21)31-32-24-15-11-22(12-16-24)28-18-20-6-2-4-8-26(20)30/h1-18,29-30H/b27-17+,28-18+
InChIKeyADTCWZTVYVEAEP-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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[4-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]phenyl]phenyl]iminomethyl]phenol
CID 3900677
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol
CID 137230306
2-[[4-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol
CID 135440137
2-[[4-(2-phenylethenyl)phenyl]iminomethyl]phenol
CID 3812353
2-[[4-(hydroxymethyl)phenyl]iminomethyl]phenol
CID 139083924
2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 724452
bis(4-[(2-hydroxyphenyl)methylideneamino]benzoate);manganese(2+);methanol
CID 139076652
2-[[4-(4-phenylpiperazin-1-yl)phenyl]iminomethyl]phenol
CID 3056190
(NE)-N-[(2-hydroxyphenyl)methylidene]-4-[(2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135473169
2-[(3,5-dimethylphenyl)iminomethyl]phenol
CID 4108135
2,3-bis[4-[(2-hydroxyphenyl)methylideneamino]phenyl]pentacene-6,13-dione
CID 136683413

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[4-[(2-hydroxyphenyl)methylideneamino]phenyl]diselanyl]phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[4-[[4-[(2-hydroxyphenyl)methylideneamino]phenyl]diselanyl]phenyl]iminomethyl]phenol (CID 170941504) is 2-[[4-[[4-[(2-hydroxyphenyl)methylideneamino]phenyl]diselanyl]phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[4-[[4-[(2-hydroxyphenyl)methylideneamino]phenyl]diselanyl]phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[4-[[4-[(2-hydroxyphenyl)methylideneamino]phenyl]diselanyl]phenyl]iminomethyl]phenol is Oc1ccccc1/C=N/c1ccc([Se][Se]c2ccc(/N=C/c3ccccc3O)cc2)cc1.
What is the InChIKey of 2-[[4-[[4-[(2-hydroxyphenyl)methylideneamino]phenyl]diselanyl]phenyl]iminomethyl]phenol?
The InChIKey is ADTCWZTVYVEAEP-XUIWWLCJSA-N. The full InChI is InChI=1S/C26H20N2O2Se2/c29-25-7-3-1-5-19(25)17-27-21-9-13-23(14-10-21)31-32-24-15-11-22(12-16-24)28-18-20-6-2-4-8-26(20)30/h1-18,29-30H/b27-17+,28-18+.
What are the key properties of 2-[[4-[[4-[(2-hydroxyphenyl)methylideneamino]phenyl]diselanyl]phenyl]iminomethyl]phenol?
2-[[4-[[4-[(2-hydroxyphenyl)methylideneamino]phenyl]diselanyl]phenyl]iminomethyl]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-[[4-[[4-[(2-hydroxyphenyl)methylideneamino]phenyl]diselanyl]phenyl]iminomethyl]phenol is sourced from PubChem (CID 170941504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).