[4-[4-(2,5-dimethoxyphenyl)-1,3-selenazol-2-yl]phenyl]-pentafluoro-λ6-sulfane

C34H28F10N2O4S2Se2 — CID 139093303

IUPAC[4-[4-(2,5-dimethoxyphenyl)-1,3-selenazol-2-yl]phenyl]-pentafluoro-λ6-sulfane
SMILESCOc1ccc(OC)c(-c2c[se]c(-c3ccc(S(F)(F)(F)(F)F)cc3)n2)c1.COc1ccc(OC)c(-c2c[se]c(-c3ccc(S(F)(F)(F)(F)F)cc3)n2)c1
InChIInChI=1S/2C17H14F5NO2SSe/c2*1-24-12-5-8-16(25-2)14(9-12)15-10-27-17(23-15)11-3-6-13(7-4-11)26(18,19,20,21)22/h2*3-10H,1-2H3
InChIKeyVIAYSZKTEIKXQL-UHFFFAOYSA-N
MW940.64 g/mol
LogP12.29
Rot. Bonds10

About [4-[4-(2,5-dimethoxyphenyl)-1,3-selenazol-2-yl]phenyl]-pentafluoro-λ6-sulfane

[4-[4-(2,5-dimethoxyphenyl)-1,3-selenazol-2-yl]phenyl]-pentafluoro-λ6-sulfane (PubChem CID 139093303) has the molecular formula C34H28F10N2O4S2Se2 and a molecular weight of 940.64 g/mol. Its IUPAC name is [4-[4-(2,5-dimethoxyphenyl)-1,3-selenazol-2-yl]phenyl]-pentafluoro-λ6-sulfane.

Molecular Properties

Compound Name[4-[4-(2,5-dimethoxyphenyl)-1,3-selenazol-2-yl]phenyl]-pentafluoro-λ6-sulfane
PubChem CID139093303
Molecular FormulaC34H28F10N2O4S2Se2
Molecular Weight940.64 g/mol
Exact Mass941.97
IUPAC Name[4-[4-(2,5-dimethoxyphenyl)-1,3-selenazol-2-yl]phenyl]-pentafluoro-λ6-sulfane
SMILESCOc1ccc(OC)c(-c2c[se]c(-c3ccc(S(F)(F)(F)(F)F)cc3)n2)c1.COc1ccc(OC)c(-c2c[se]c(-c3ccc(S(F)(F)(F)(F)F)cc3)n2)c1
InChIInChI=1S/2C17H14F5NO2SSe/c2*1-24-12-5-8-16(25-2)14(9-12)15-10-27-17(23-15)11-3-6-13(7-4-11)26(18,19,20,21)22/h2*3-10H,1-2H3
InChIKeyVIAYSZKTEIKXQL-UHFFFAOYSA-N
XLogP12.29
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500940.64
LogP ≤ 512.29
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

2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
4-(4-bromophenyl)-2-(6-methoxynaphthalen-2-yl)-1,3-selenazole
CID 135000855
4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine
CID 75359779
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
2-(2,5-dimethoxyphenyl)-4-fluoropyridine
CID 102824456
1-methoxy-2,4-bis(4-methoxyphenyl)benzene
CID 102598609
2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3554219
2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine
CID 24902001
3-[4-methoxy-3-(4-methoxyphenyl)phenyl]-1,2-oxazole
CID 54225371
4-(2,5-dimethoxyphenyl)-2-fluorophenol
CID 53219549
2-amino-6-(2,5-dimethoxyphenyl)-4-(3-fluorophenyl)pyridine-3-carbonitrile
CID 3548331
2-(2,5-dimethoxyphenyl)-4-[4-[2-(2,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
CID 135537331

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2,5-dimethoxyphenyl)-1,3-selenazol-2-yl]phenyl]-pentafluoro-λ6-sulfane?
The IUPAC name of [4-[4-(2,5-dimethoxyphenyl)-1,3-selenazol-2-yl]phenyl]-pentafluoro-λ6-sulfane (CID 139093303) is [4-[4-(2,5-dimethoxyphenyl)-1,3-selenazol-2-yl]phenyl]-pentafluoro-λ6-sulfane.
What is the SMILES notation for [4-[4-(2,5-dimethoxyphenyl)-1,3-selenazol-2-yl]phenyl]-pentafluoro-λ6-sulfane?
The canonical SMILES for [4-[4-(2,5-dimethoxyphenyl)-1,3-selenazol-2-yl]phenyl]-pentafluoro-λ6-sulfane is COc1ccc(OC)c(-c2c[se]c(-c3ccc(S(F)(F)(F)(F)F)cc3)n2)c1.COc1ccc(OC)c(-c2c[se]c(-c3ccc(S(F)(F)(F)(F)F)cc3)n2)c1.
What is the InChIKey of [4-[4-(2,5-dimethoxyphenyl)-1,3-selenazol-2-yl]phenyl]-pentafluoro-λ6-sulfane?
The InChIKey is VIAYSZKTEIKXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H14F5NO2SSe/c2*1-24-12-5-8-16(25-2)14(9-12)15-10-27-17(23-15)11-3-6-13(7-4-11)26(18,19,20,21)22/h2*3-10H,1-2H3.
What are the key properties of [4-[4-(2,5-dimethoxyphenyl)-1,3-selenazol-2-yl]phenyl]-pentafluoro-λ6-sulfane?
[4-[4-(2,5-dimethoxyphenyl)-1,3-selenazol-2-yl]phenyl]-pentafluoro-λ6-sulfane has a molecular weight of 940.64 g/mol, XLogP of 12.29, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2,5-dimethoxyphenyl)-1,3-selenazol-2-yl]phenyl]-pentafluoro-λ6-sulfane is sourced from PubChem (CID 139093303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).