5-(4-methoxyphenyl)-4-phenylselanylselenopheno[2,3-b]thiophene

C19H14OSSe2 — CID 71662006

IUPAC5-(4-methoxyphenyl)-4-phenylselanylselenopheno[2,3-b]thiophene
SMILESCOc1ccc(-c2[se]c3sccc3c2[Se]c2ccccc2)cc1
InChIInChI=1S/C19H14OSSe2/c1-20-14-9-7-13(8-10-14)17-18(16-11-12-21-19(16)23-17)22-15-5-3-2-4-6-15/h2-12H,1H3
InChIKeyFUPNANLBFXZKHU-UHFFFAOYSA-N
MW448.31 g/mol
LogP3.29
Rot. Bonds4

About 5-(4-methoxyphenyl)-4-phenylselanylselenopheno[2,3-b]thiophene

5-(4-methoxyphenyl)-4-phenylselanylselenopheno[2,3-b]thiophene (PubChem CID 71662006) has the molecular formula C19H14OSSe2 and a molecular weight of 448.31 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-phenylselanylselenopheno[2,3-b]thiophene.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-phenylselanylselenopheno[2,3-b]thiophene
PubChem CID71662006
Molecular FormulaC19H14OSSe2
Molecular Weight448.31 g/mol
Exact Mass449.91
IUPAC Name5-(4-methoxyphenyl)-4-phenylselanylselenopheno[2,3-b]thiophene
SMILESCOc1ccc(-c2[se]c3sccc3c2[Se]c2ccccc2)cc1
InChIInChI=1S/C19H14OSSe2/c1-20-14-9-7-13(8-10-14)17-18(16-11-12-21-19(16)23-17)22-15-5-3-2-4-6-15/h2-12H,1H3
InChIKeyFUPNANLBFXZKHU-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
4-(4-methoxyphenyl)-3-phenylselanylquinoline
CID 86038980
4-(4-methoxyphenyl)-2-phenyl-6-thiophen-2-ylpyridine
CID 13191008
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
1,3-bis(4-methoxyphenyl)-2-benzothiophene
CID 14668872
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
5-(4-methoxyphenyl)-1-phenyl-4-phenylselanylpyrazole
CID 132837815
diphenylphosphane;1-methoxy-4-phenylbenzene;hydrochloride
CID 175558658
CID 172685187
CID 172685187
anisole;trihydrofluoride
CID 174796385

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-phenylselanylselenopheno[2,3-b]thiophene?
The IUPAC name of 5-(4-methoxyphenyl)-4-phenylselanylselenopheno[2,3-b]thiophene (CID 71662006) is 5-(4-methoxyphenyl)-4-phenylselanylselenopheno[2,3-b]thiophene.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-phenylselanylselenopheno[2,3-b]thiophene?
The canonical SMILES for 5-(4-methoxyphenyl)-4-phenylselanylselenopheno[2,3-b]thiophene is COc1ccc(-c2[se]c3sccc3c2[Se]c2ccccc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-phenylselanylselenopheno[2,3-b]thiophene?
The InChIKey is FUPNANLBFXZKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14OSSe2/c1-20-14-9-7-13(8-10-14)17-18(16-11-12-21-19(16)23-17)22-15-5-3-2-4-6-15/h2-12H,1H3.
What are the key properties of 5-(4-methoxyphenyl)-4-phenylselanylselenopheno[2,3-b]thiophene?
5-(4-methoxyphenyl)-4-phenylselanylselenopheno[2,3-b]thiophene has a molecular weight of 448.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-phenylselanylselenopheno[2,3-b]thiophene is sourced from PubChem (CID 71662006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).