4-[4-[[4-[[4-(selenadiazol-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]selenadiazole

C24H18N4O2Se2 — CID 11421494

IUPAC4-[4-[[4-[[4-(selenadiazol-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]selenadiazole
SMILESc1cc(COc2ccc(-c3c[se]nn3)cc2)ccc1COc1ccc(-c2c[se]nn2)cc1
InChIInChI=1S/C24H18N4O2Se2/c1-2-18(14-30-22-11-7-20(8-12-22)24-16-32-28-26-24)4-3-17(1)13-29-21-9-5-19(6-10-21)23-15-31-27-25-23/h1-12,15-16H,13-14H2
InChIKeyIPAUWGOFYLYOEM-UHFFFAOYSA-N
MW552.35 g/mol
LogP3.87
Rot. Bonds8

About 4-[4-[[4-[[4-(selenadiazol-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]selenadiazole

4-[4-[[4-[[4-(selenadiazol-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]selenadiazole (PubChem CID 11421494) has the molecular formula C24H18N4O2Se2 and a molecular weight of 552.35 g/mol. Its IUPAC name is 4-[4-[[4-[[4-(selenadiazol-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]selenadiazole.

Molecular Properties

Compound Name4-[4-[[4-[[4-(selenadiazol-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]selenadiazole
PubChem CID11421494
Molecular FormulaC24H18N4O2Se2
Molecular Weight552.35 g/mol
Exact Mass553.98
IUPAC Name4-[4-[[4-[[4-(selenadiazol-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]selenadiazole
SMILESc1cc(COc2ccc(-c3c[se]nn3)cc2)ccc1COc1ccc(-c2c[se]nn2)cc1
InChIInChI=1S/C24H18N4O2Se2/c1-2-18(14-30-22-11-7-20(8-12-22)24-16-32-28-26-24)4-3-17(1)13-29-21-9-5-19(6-10-21)23-15-31-27-25-23/h1-12,15-16H,13-14H2
InChIKeyIPAUWGOFYLYOEM-UHFFFAOYSA-N
XLogP3.87
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-(4-ethoxyphenyl)selenadiazole
CID 4047770
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
3-bromo-5-(4-phenylmethoxyphenyl)pyrazin-2-amine
CID 155906636
2-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole
CID 7680870
3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid
CID 51349860
1,4-bis[[4-(chloromethyl)phenoxy]methyl]benzene
CID 10340152
4-[(4-phenylphenoxy)methyl]benzonitrile
CID 7919523
2-[4-[(4-ethenylphenyl)methoxy]phenyl]pyridine
CID 59748631
2-(4-phenylmethoxyphenyl)quinoxaline
CID 902798
4-[4-[(4-nitrophenyl)methoxy]phenyl]-1,3-thiazol-2-amine
CID 2801363
2,6-bis(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyridine
CID 132564654
CID 59348799
CID 59348799

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-[[4-(selenadiazol-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]selenadiazole?
The IUPAC name of 4-[4-[[4-[[4-(selenadiazol-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]selenadiazole (CID 11421494) is 4-[4-[[4-[[4-(selenadiazol-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]selenadiazole.
What is the SMILES notation for 4-[4-[[4-[[4-(selenadiazol-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]selenadiazole?
The canonical SMILES for 4-[4-[[4-[[4-(selenadiazol-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]selenadiazole is c1cc(COc2ccc(-c3c[se]nn3)cc2)ccc1COc1ccc(-c2c[se]nn2)cc1.
What is the InChIKey of 4-[4-[[4-[[4-(selenadiazol-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]selenadiazole?
The InChIKey is IPAUWGOFYLYOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2Se2/c1-2-18(14-30-22-11-7-20(8-12-22)24-16-32-28-26-24)4-3-17(1)13-29-21-9-5-19(6-10-21)23-15-31-27-25-23/h1-12,15-16H,13-14H2.
What are the key properties of 4-[4-[[4-[[4-(selenadiazol-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]selenadiazole?
4-[4-[[4-[[4-(selenadiazol-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]selenadiazole has a molecular weight of 552.35 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-[[4-(selenadiazol-4-yl)phenoxy]methyl]phenyl]methoxy]phenyl]selenadiazole is sourced from PubChem (CID 11421494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).