4-[(2R)-5-oxo-2,4-diphenyl-2H-furan-3-yl]benzonitrile

C23H15NO2 — CID 86338758

IUPAC4-[(2R)-5-oxo-2,4-diphenyl-2H-furan-3-yl]benzonitrile
SMILESN#Cc1ccc(C2=C(c3ccccc3)C(=O)O[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C23H15NO2/c24-15-16-11-13-18(14-12-16)20-21(17-7-3-1-4-8-17)23(25)26-22(20)19-9-5-2-6-10-19/h1-14,22H/t22-/m1/s1
InChIKeyBHHGQFMXWAUCDX-JOCHJYFZSA-N
MW337.38 g/mol
LogP4.77
Rot. Bonds3

About 4-[(2R)-5-oxo-2,4-diphenyl-2H-furan-3-yl]benzonitrile

4-[(2R)-5-oxo-2,4-diphenyl-2H-furan-3-yl]benzonitrile (PubChem CID 86338758) has the molecular formula C23H15NO2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[(2R)-5-oxo-2,4-diphenyl-2H-furan-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[(2R)-5-oxo-2,4-diphenyl-2H-furan-3-yl]benzonitrile
PubChem CID86338758
Molecular FormulaC23H15NO2
Molecular Weight337.38 g/mol
Exact Mass337.11
IUPAC Name4-[(2R)-5-oxo-2,4-diphenyl-2H-furan-3-yl]benzonitrile
SMILESN#Cc1ccc(C2=C(c3ccccc3)C(=O)O[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C23H15NO2/c24-15-16-11-13-18(14-12-16)20-21(17-7-3-1-4-8-17)23(25)26-22(20)19-9-5-2-6-10-19/h1-14,22H/t22-/m1/s1
InChIKeyBHHGQFMXWAUCDX-JOCHJYFZSA-N
XLogP4.77
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
(2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one
CID 102397882
2,3,4,5-tetraphenyl-2H-pyran
CID 141213497
azulene-6-carbonitrile
CID 91533837
methyl 5-oxo-2,3-diphenyl-2H-furan-4-carboxylate
CID 70977330
2-methoxy-3,4-diphenyl-2H-furan-5-one
CID 12691708
4-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)benzonitrile
CID 56695839
3-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzonitrile
CID 67060962
(14N)benzonitrile
CID 102268532
4-[(4-cyanophenyl)-(4-phenylphenyl)methyl]benzonitrile
CID 150609775
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile
CID 155476468
4-(2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-4-yl)benzonitrile
CID 10616982

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-5-oxo-2,4-diphenyl-2H-furan-3-yl]benzonitrile?
The IUPAC name of 4-[(2R)-5-oxo-2,4-diphenyl-2H-furan-3-yl]benzonitrile (CID 86338758) is 4-[(2R)-5-oxo-2,4-diphenyl-2H-furan-3-yl]benzonitrile.
What is the SMILES notation for 4-[(2R)-5-oxo-2,4-diphenyl-2H-furan-3-yl]benzonitrile?
The canonical SMILES for 4-[(2R)-5-oxo-2,4-diphenyl-2H-furan-3-yl]benzonitrile is N#Cc1ccc(C2=C(c3ccccc3)C(=O)O[C@@H]2c2ccccc2)cc1.
What is the InChIKey of 4-[(2R)-5-oxo-2,4-diphenyl-2H-furan-3-yl]benzonitrile?
The InChIKey is BHHGQFMXWAUCDX-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H15NO2/c24-15-16-11-13-18(14-12-16)20-21(17-7-3-1-4-8-17)23(25)26-22(20)19-9-5-2-6-10-19/h1-14,22H/t22-/m1/s1.
What are the key properties of 4-[(2R)-5-oxo-2,4-diphenyl-2H-furan-3-yl]benzonitrile?
4-[(2R)-5-oxo-2,4-diphenyl-2H-furan-3-yl]benzonitrile has a molecular weight of 337.38 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-5-oxo-2,4-diphenyl-2H-furan-3-yl]benzonitrile is sourced from PubChem (CID 86338758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).