3,4-bis[(4-fluorophenyl)selanyl]-5,5-dimethyl-2-phenyl-2H-furan

C24H20F2OSe2 — CID 154711565

IUPAC3,4-bis[(4-fluorophenyl)selanyl]-5,5-dimethyl-2-phenyl-2H-furan
SMILESCC1(C)OC(c2ccccc2)C([Se]c2ccc(F)cc2)=C1[Se]c1ccc(F)cc1
InChIInChI=1S/C24H20F2OSe2/c1-24(2)23(29-20-14-10-18(26)11-15-20)22(28-19-12-8-17(25)9-13-19)21(27-24)16-6-4-3-5-7-16/h3-15,21H,1-2H3
InChIKeyBMZDSWCXZHVSFC-UHFFFAOYSA-N
MW520.34 g/mol
LogP4.09
Rot. Bonds5

About 3,4-bis[(4-fluorophenyl)selanyl]-5,5-dimethyl-2-phenyl-2H-furan

3,4-bis[(4-fluorophenyl)selanyl]-5,5-dimethyl-2-phenyl-2H-furan (PubChem CID 154711565) has the molecular formula C24H20F2OSe2 and a molecular weight of 520.34 g/mol. Its IUPAC name is 3,4-bis[(4-fluorophenyl)selanyl]-5,5-dimethyl-2-phenyl-2H-furan.

Molecular Properties

Compound Name3,4-bis[(4-fluorophenyl)selanyl]-5,5-dimethyl-2-phenyl-2H-furan
PubChem CID154711565
Molecular FormulaC24H20F2OSe2
Molecular Weight520.34 g/mol
Exact Mass521.98
IUPAC Name3,4-bis[(4-fluorophenyl)selanyl]-5,5-dimethyl-2-phenyl-2H-furan
SMILESCC1(C)OC(c2ccccc2)C([Se]c2ccc(F)cc2)=C1[Se]c1ccc(F)cc1
InChIInChI=1S/C24H20F2OSe2/c1-24(2)23(29-20-14-10-18(26)11-15-20)22(28-19-12-8-17(25)9-13-19)21(27-24)16-6-4-3-5-7-16/h3-15,21H,1-2H3
InChIKeyBMZDSWCXZHVSFC-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.34
LogP ≤ 54.09
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

Bis(1-phenylethyl) ether
CID 62342
Methyl trityl ether
CID 136388
Ethyl trityl ether
CID 294563
Bis(diphenylmethyl) ether
CID 11323
4-(Methoxy-phenyl-methyl)-biphenyl
CID 4408101
3-(4-Fluorophenyl)-3-methoxy-1,2-dioxaspiro[5.5]undec-4-ene
CID 10540556
Furan, 2,5-diphenyl-tetrahydro-
CID 576417
Diphenylmethyl propyl ether
CID 4651659
Tert-butyl diphenylmethyl ether
CID 255804
3-[Bis-(4-fluoro-phenyl)-methoxy]-8-oxa-bicyclo[3.2.1]octane
CID 76313446
2,2-Bis(4-fluorophenyl)tetrahydrofuran
CID 96739
2-Phenyl-3-(4-fluorophenyl)-oxirane
CID 603783

Frequently Asked Questions

What is the IUPAC name of 3,4-bis[(4-fluorophenyl)selanyl]-5,5-dimethyl-2-phenyl-2H-furan?
The IUPAC name of 3,4-bis[(4-fluorophenyl)selanyl]-5,5-dimethyl-2-phenyl-2H-furan (CID 154711565) is 3,4-bis[(4-fluorophenyl)selanyl]-5,5-dimethyl-2-phenyl-2H-furan.
What is the SMILES notation for 3,4-bis[(4-fluorophenyl)selanyl]-5,5-dimethyl-2-phenyl-2H-furan?
The canonical SMILES for 3,4-bis[(4-fluorophenyl)selanyl]-5,5-dimethyl-2-phenyl-2H-furan is CC1(C)OC(c2ccccc2)C([Se]c2ccc(F)cc2)=C1[Se]c1ccc(F)cc1.
What is the InChIKey of 3,4-bis[(4-fluorophenyl)selanyl]-5,5-dimethyl-2-phenyl-2H-furan?
The InChIKey is BMZDSWCXZHVSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2OSe2/c1-24(2)23(29-20-14-10-18(26)11-15-20)22(28-19-12-8-17(25)9-13-19)21(27-24)16-6-4-3-5-7-16/h3-15,21H,1-2H3.
What are the key properties of 3,4-bis[(4-fluorophenyl)selanyl]-5,5-dimethyl-2-phenyl-2H-furan?
3,4-bis[(4-fluorophenyl)selanyl]-5,5-dimethyl-2-phenyl-2H-furan has a molecular weight of 520.34 g/mol, XLogP of 4.09, 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]-5,5-dimethyl-2-phenyl-2H-furan is sourced from PubChem (CID 154711565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).