3-octoxy-2,5-diphenylselenophene

C24H28OSe — CID 23625555

IUPAC3-octoxy-2,5-diphenylselenophene
SMILESCCCCCCCCOc1cc(-c2ccccc2)[se]c1-c1ccccc1
InChIInChI=1S/C24H28OSe/c1-2-3-4-5-6-13-18-25-22-19-23(20-14-9-7-10-15-20)26-24(22)21-16-11-8-12-17-21/h7-12,14-17,19H,2-6,13,18H2,1H3
InChIKeyOJCJMHDBQNCIRD-UHFFFAOYSA-N
MW411.45 g/mol
LogP6.82
Rot. Bonds10

About 3-octoxy-2,5-diphenylselenophene

3-octoxy-2,5-diphenylselenophene (PubChem CID 23625555) has the molecular formula C24H28OSe and a molecular weight of 411.45 g/mol. Its IUPAC name is 3-octoxy-2,5-diphenylselenophene.

Molecular Properties

Compound Name3-octoxy-2,5-diphenylselenophene
PubChem CID23625555
Molecular FormulaC24H28OSe
Molecular Weight411.45 g/mol
Exact Mass412.13
IUPAC Name3-octoxy-2,5-diphenylselenophene
SMILESCCCCCCCCOc1cc(-c2ccccc2)[se]c1-c1ccccc1
InChIInChI=1S/C24H28OSe/c1-2-3-4-5-6-13-18-25-22-19-23(20-14-9-7-10-15-20)26-24(22)21-16-11-8-12-17-21/h7-12,14-17,19H,2-6,13,18H2,1H3
InChIKeyOJCJMHDBQNCIRD-UHFFFAOYSA-N
XLogP6.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.45
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-octadecoxy-2-phenylbenzene
CID 70983974
2-methyl-1-octoxy-4-phenylbenzene
CID 23393452
2,3,7,10-tetrahexoxy-6,11-diphenyltriphenylene
CID 132990475
1-ethoxy-3-hexoxy-2-phenylbenzene
CID 141138385
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
1,2,4,5-tetrakis-decoxybenzene
CID 10556791
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
1-heptoxy-2,3-diphenylbenzene
CID 91223664
1,1'-biphenyl;hexadecane
CID 173308514
1,4-didodecoxynaphthalene
CID 21304164
2-octadecoxycyclohepta-2,4,6-trien-1-one
CID 102106864
pentoxybenzene;undecane
CID 174778179

Frequently Asked Questions

What is the IUPAC name of 3-octoxy-2,5-diphenylselenophene?
The IUPAC name of 3-octoxy-2,5-diphenylselenophene (CID 23625555) is 3-octoxy-2,5-diphenylselenophene.
What is the SMILES notation for 3-octoxy-2,5-diphenylselenophene?
The canonical SMILES for 3-octoxy-2,5-diphenylselenophene is CCCCCCCCOc1cc(-c2ccccc2)[se]c1-c1ccccc1.
What is the InChIKey of 3-octoxy-2,5-diphenylselenophene?
The InChIKey is OJCJMHDBQNCIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28OSe/c1-2-3-4-5-6-13-18-25-22-19-23(20-14-9-7-10-15-20)26-24(22)21-16-11-8-12-17-21/h7-12,14-17,19H,2-6,13,18H2,1H3.
What are the key properties of 3-octoxy-2,5-diphenylselenophene?
3-octoxy-2,5-diphenylselenophene has a molecular weight of 411.45 g/mol, XLogP of 6.82, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octoxy-2,5-diphenylselenophene is sourced from PubChem (CID 23625555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).