3,4-bis[(4-fluorophenyl)selanyl]-2-naphthalen-2-yl-2,5-dihydrofuran

C26H18F2OSe2 — CID 154711892

IUPAC3,4-bis[(4-fluorophenyl)selanyl]-2-naphthalen-2-yl-2,5-dihydrofuran
SMILESFc1ccc([Se]C2=C([Se]c3ccc(F)cc3)C(c3ccc4ccccc4c3)OC2)cc1
InChIInChI=1S/C26H18F2OSe2/c27-20-7-11-22(12-8-20)30-24-16-29-25(26(24)31-23-13-9-21(28)10-14-23)19-6-5-17-3-1-2-4-18(17)15-19/h1-15,25H,16H2
InChIKeyOENIYLFUXCGSEW-UHFFFAOYSA-N
MW542.35 g/mol
LogP4.46
Rot. Bonds5

About 3,4-bis[(4-fluorophenyl)selanyl]-2-naphthalen-2-yl-2,5-dihydrofuran

3,4-bis[(4-fluorophenyl)selanyl]-2-naphthalen-2-yl-2,5-dihydrofuran (PubChem CID 154711892) has the molecular formula C26H18F2OSe2 and a molecular weight of 542.35 g/mol. Its IUPAC name is 3,4-bis[(4-fluorophenyl)selanyl]-2-naphthalen-2-yl-2,5-dihydrofuran.

Molecular Properties

Compound Name3,4-bis[(4-fluorophenyl)selanyl]-2-naphthalen-2-yl-2,5-dihydrofuran
PubChem CID154711892
Molecular FormulaC26H18F2OSe2
Molecular Weight542.35 g/mol
Exact Mass543.97
IUPAC Name3,4-bis[(4-fluorophenyl)selanyl]-2-naphthalen-2-yl-2,5-dihydrofuran
SMILESFc1ccc([Se]C2=C([Se]c3ccc(F)cc3)C(c3ccc4ccccc4c3)OC2)cc1
InChIInChI=1S/C26H18F2OSe2/c27-20-7-11-22(12-8-20)30-24-16-29-25(26(24)31-23-13-9-21(28)10-14-23)19-6-5-17-3-1-2-4-18(17)15-19/h1-15,25H,16H2
InChIKeyOENIYLFUXCGSEW-UHFFFAOYSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.35
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzo(a)pyrene 4,5-epoxide
CID 37786
6b,7a-Dihydrobenzo(10,11)chryseno(1,2-b)oxirene
CID 37455
8b,9a-Dihydropyreno(4,5-b)oxirene
CID 108016
1a,11b-Dihydrochryseno(5,6-b)oxirene
CID 27062
Edmba
CID 38354
1a,11b-Dihydro-11-methylbenz(a)anthra(5,6-b)oxirene
CID 14388
Benzo(c)phenanthrene 5,6-oxide
CID 124722
5,6-Epoxy-5,6-dihydrodibenz(a,h)anthracene
CID 15012
9-Anthryloxirane
CID 43720
1-Pyrenyloxirane
CID 100333
Benz(3,4)anthra(1,2-b)oxirene, 1a,11b-dihydro-, (1aS)-
CID 188169
7,8-Dihydrobenzo(a)pyrene-9,10-epoxide
CID 91016426

Frequently Asked Questions

What is the IUPAC name of 3,4-bis[(4-fluorophenyl)selanyl]-2-naphthalen-2-yl-2,5-dihydrofuran?
The IUPAC name of 3,4-bis[(4-fluorophenyl)selanyl]-2-naphthalen-2-yl-2,5-dihydrofuran (CID 154711892) is 3,4-bis[(4-fluorophenyl)selanyl]-2-naphthalen-2-yl-2,5-dihydrofuran.
What is the SMILES notation for 3,4-bis[(4-fluorophenyl)selanyl]-2-naphthalen-2-yl-2,5-dihydrofuran?
The canonical SMILES for 3,4-bis[(4-fluorophenyl)selanyl]-2-naphthalen-2-yl-2,5-dihydrofuran is Fc1ccc([Se]C2=C([Se]c3ccc(F)cc3)C(c3ccc4ccccc4c3)OC2)cc1.
What is the InChIKey of 3,4-bis[(4-fluorophenyl)selanyl]-2-naphthalen-2-yl-2,5-dihydrofuran?
The InChIKey is OENIYLFUXCGSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F2OSe2/c27-20-7-11-22(12-8-20)30-24-16-29-25(26(24)31-23-13-9-21(28)10-14-23)19-6-5-17-3-1-2-4-18(17)15-19/h1-15,25H,16H2.
What are the key properties of 3,4-bis[(4-fluorophenyl)selanyl]-2-naphthalen-2-yl-2,5-dihydrofuran?
3,4-bis[(4-fluorophenyl)selanyl]-2-naphthalen-2-yl-2,5-dihydrofuran has a molecular weight of 542.35 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[(4-fluorophenyl)selanyl]-2-naphthalen-2-yl-2,5-dihydrofuran is sourced from PubChem (CID 154711892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).