4-[5-(4-nitrophenyl)-2-phenylfuran-3-yl]benzonitrile

C23H14N2O3 — CID 53349945

IUPAC4-[5-(4-nitrophenyl)-2-phenylfuran-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)oc2-c2ccccc2)cc1
InChIInChI=1S/C23H14N2O3/c24-15-16-6-8-17(9-7-16)21-14-22(18-10-12-20(13-11-18)25(26)27)28-23(21)19-4-2-1-3-5-19/h1-14H
InChIKeyFMOJXUKHEHFKRR-UHFFFAOYSA-N
MW366.38 g/mol
LogP6.06
Rot. Bonds4

About 4-[5-(4-nitrophenyl)-2-phenylfuran-3-yl]benzonitrile

4-[5-(4-nitrophenyl)-2-phenylfuran-3-yl]benzonitrile (PubChem CID 53349945) has the molecular formula C23H14N2O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is 4-[5-(4-nitrophenyl)-2-phenylfuran-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(4-nitrophenyl)-2-phenylfuran-3-yl]benzonitrile
PubChem CID53349945
Molecular FormulaC23H14N2O3
Molecular Weight366.38 g/mol
Exact Mass366.10
IUPAC Name4-[5-(4-nitrophenyl)-2-phenylfuran-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)oc2-c2ccccc2)cc1
InChIInChI=1S/C23H14N2O3/c24-15-16-6-8-17(9-7-16)21-14-22(18-10-12-20(13-11-18)25(26)27)28-23(21)19-4-2-1-3-5-19/h1-14H
InChIKeyFMOJXUKHEHFKRR-UHFFFAOYSA-N
XLogP6.06
TPSA80.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.38
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(3-chlorophenyl)-5-phenylfuran-3-yl]benzonitrile
CID 53349735
2-(4-nitrophenyl)benzo[f][1]benzofuran-4,9-dione
CID 14592583
2-(4-nitrophenyl)-1-benzofuran
CID 638459
2-methyl-6-(4-nitrophenyl)-5-phenyl-1-benzofuran
CID 174494373
5-(4-methoxyphenyl)-2,3-diphenylfuran
CID 2733040
2-(4-phenylphenyl)-1-benzofuran-5-carbonitrile
CID 135058554
4-[[5-(4-nitrophenyl)-1,3-oxazol-2-yl]amino]benzonitrile
CID 162640026
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
4-[(Z)-1-cyano-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]benzonitrile
CID 967469
bis(1-nitro-4-phenylbenzene);sulfur dioxide
CID 174751271

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-nitrophenyl)-2-phenylfuran-3-yl]benzonitrile?
The IUPAC name of 4-[5-(4-nitrophenyl)-2-phenylfuran-3-yl]benzonitrile (CID 53349945) is 4-[5-(4-nitrophenyl)-2-phenylfuran-3-yl]benzonitrile.
What is the SMILES notation for 4-[5-(4-nitrophenyl)-2-phenylfuran-3-yl]benzonitrile?
The canonical SMILES for 4-[5-(4-nitrophenyl)-2-phenylfuran-3-yl]benzonitrile is N#Cc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)oc2-c2ccccc2)cc1.
What is the InChIKey of 4-[5-(4-nitrophenyl)-2-phenylfuran-3-yl]benzonitrile?
The InChIKey is FMOJXUKHEHFKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2O3/c24-15-16-6-8-17(9-7-16)21-14-22(18-10-12-20(13-11-18)25(26)27)28-23(21)19-4-2-1-3-5-19/h1-14H.
What are the key properties of 4-[5-(4-nitrophenyl)-2-phenylfuran-3-yl]benzonitrile?
4-[5-(4-nitrophenyl)-2-phenylfuran-3-yl]benzonitrile has a molecular weight of 366.38 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-nitrophenyl)-2-phenylfuran-3-yl]benzonitrile is sourced from PubChem (CID 53349945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).