(5E)-3,4-diphenyl-5-[phenyl(phenylselanyl)methylidene]furan-2-one

C29H20O2Se — CID 11145260

IUPAC(5E)-3,4-diphenyl-5-[phenyl(phenylselanyl)methylidene]furan-2-one
SMILESO=C1O/C(=C(/[Se]c2ccccc2)c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C29H20O2Se/c30-29-26(22-15-7-2-8-16-22)25(21-13-5-1-6-14-21)27(31-29)28(23-17-9-3-10-18-23)32-24-19-11-4-12-20-24/h1-20H/b28-27+
InChIKeyKRUFSZVRWCWPML-BYYHNAKLSA-N
MW479.44 g/mol
LogP5.55
Rot. Bonds5

About (5E)-3,4-diphenyl-5-[phenyl(phenylselanyl)methylidene]furan-2-one

(5E)-3,4-diphenyl-5-[phenyl(phenylselanyl)methylidene]furan-2-one (PubChem CID 11145260) has the molecular formula C29H20O2Se and a molecular weight of 479.44 g/mol. Its IUPAC name is (5E)-3,4-diphenyl-5-[phenyl(phenylselanyl)methylidene]furan-2-one.

Molecular Properties

Compound Name(5E)-3,4-diphenyl-5-[phenyl(phenylselanyl)methylidene]furan-2-one
PubChem CID11145260
Molecular FormulaC29H20O2Se
Molecular Weight479.44 g/mol
Exact Mass480.06
IUPAC Name(5E)-3,4-diphenyl-5-[phenyl(phenylselanyl)methylidene]furan-2-one
SMILESO=C1O/C(=C(/[Se]c2ccccc2)c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C29H20O2Se/c30-29-26(22-15-7-2-8-16-22)25(21-13-5-1-6-14-21)27(31-29)28(23-17-9-3-10-18-23)32-24-19-11-4-12-20-24/h1-20H/b28-27+
InChIKeyKRUFSZVRWCWPML-BYYHNAKLSA-N
XLogP5.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.44
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-diphenyl-5H-furan-2-one
CID 344049
Diphenylmaleic anhydride
CID 78530
Gymnoascolide A
CID 11593998
3,4,5,6-Tetraphenyl-2H-pyran-2-one
CID 296705
Ralfuranone L
CID 38351931
Pulvinic acid dilactone
CID 72617
Triphenylmethyl benzoate
CID 621193
Pulvinone
CID 54678446
Maculalactone B
CID 10665700
Maculalactone
CID 11394099
2,3,4-triphenyl-2H-furan-5-one
CID 345736
2(5H)-Furanone, 5-benzylidene-4-hydroxy-3-phenyl-
CID 54678437

Frequently Asked Questions

What is the IUPAC name of (5E)-3,4-diphenyl-5-[phenyl(phenylselanyl)methylidene]furan-2-one?
The IUPAC name of (5E)-3,4-diphenyl-5-[phenyl(phenylselanyl)methylidene]furan-2-one (CID 11145260) is (5E)-3,4-diphenyl-5-[phenyl(phenylselanyl)methylidene]furan-2-one.
What is the SMILES notation for (5E)-3,4-diphenyl-5-[phenyl(phenylselanyl)methylidene]furan-2-one?
The canonical SMILES for (5E)-3,4-diphenyl-5-[phenyl(phenylselanyl)methylidene]furan-2-one is O=C1O/C(=C(/[Se]c2ccccc2)c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of (5E)-3,4-diphenyl-5-[phenyl(phenylselanyl)methylidene]furan-2-one?
The InChIKey is KRUFSZVRWCWPML-BYYHNAKLSA-N. The full InChI is InChI=1S/C29H20O2Se/c30-29-26(22-15-7-2-8-16-22)25(21-13-5-1-6-14-21)27(31-29)28(23-17-9-3-10-18-23)32-24-19-11-4-12-20-24/h1-20H/b28-27+.
What are the key properties of (5E)-3,4-diphenyl-5-[phenyl(phenylselanyl)methylidene]furan-2-one?
(5E)-3,4-diphenyl-5-[phenyl(phenylselanyl)methylidene]furan-2-one has a molecular weight of 479.44 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3,4-diphenyl-5-[phenyl(phenylselanyl)methylidene]furan-2-one is sourced from PubChem (CID 11145260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).