4-(C,N-diphenylcarbonimidoyl)-5-phenylfuran-2,3-dione

C23H15NO3 — CID 13161841

IUPAC4-(C,N-diphenylcarbonimidoyl)-5-phenylfuran-2,3-dione
SMILESO=C1OC(c2ccccc2)=C(/C(=N/c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C23H15NO3/c25-21-19(22(27-23(21)26)17-12-6-2-7-13-17)20(16-10-4-1-5-11-16)24-18-14-8-3-9-15-18/h1-15H/b24-20+
InChIKeyXFXHKXFLBQSLSY-HIXSDJFHSA-N
MW353.38 g/mol
LogP4.34
Rot. Bonds4

About 4-(C,N-diphenylcarbonimidoyl)-5-phenylfuran-2,3-dione

4-(C,N-diphenylcarbonimidoyl)-5-phenylfuran-2,3-dione (PubChem CID 13161841) has the molecular formula C23H15NO3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-(C,N-diphenylcarbonimidoyl)-5-phenylfuran-2,3-dione.

Molecular Properties

Compound Name4-(C,N-diphenylcarbonimidoyl)-5-phenylfuran-2,3-dione
PubChem CID13161841
Molecular FormulaC23H15NO3
Molecular Weight353.38 g/mol
Exact Mass353.11
IUPAC Name4-(C,N-diphenylcarbonimidoyl)-5-phenylfuran-2,3-dione
SMILESO=C1OC(c2ccccc2)=C(/C(=N/c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C23H15NO3/c25-21-19(22(27-23(21)26)17-12-6-2-7-13-17)20(16-10-4-1-5-11-16)24-18-14-8-3-9-15-18/h1-15H/b24-20+
InChIKeyXFXHKXFLBQSLSY-HIXSDJFHSA-N
XLogP4.34
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(C,N-diphenylcarbonimidoyl)-5-phenylfuran-2,3-dione?
The IUPAC name of 4-(C,N-diphenylcarbonimidoyl)-5-phenylfuran-2,3-dione (CID 13161841) is 4-(C,N-diphenylcarbonimidoyl)-5-phenylfuran-2,3-dione.
What is the SMILES notation for 4-(C,N-diphenylcarbonimidoyl)-5-phenylfuran-2,3-dione?
The canonical SMILES for 4-(C,N-diphenylcarbonimidoyl)-5-phenylfuran-2,3-dione is O=C1OC(c2ccccc2)=C(/C(=N/c2ccccc2)c2ccccc2)C1=O.
What is the InChIKey of 4-(C,N-diphenylcarbonimidoyl)-5-phenylfuran-2,3-dione?
The InChIKey is XFXHKXFLBQSLSY-HIXSDJFHSA-N. The full InChI is InChI=1S/C23H15NO3/c25-21-19(22(27-23(21)26)17-12-6-2-7-13-17)20(16-10-4-1-5-11-16)24-18-14-8-3-9-15-18/h1-15H/b24-20+.
What are the key properties of 4-(C,N-diphenylcarbonimidoyl)-5-phenylfuran-2,3-dione?
4-(C,N-diphenylcarbonimidoyl)-5-phenylfuran-2,3-dione has a molecular weight of 353.38 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(C,N-diphenylcarbonimidoyl)-5-phenylfuran-2,3-dione is sourced from PubChem (CID 13161841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).