5-acetyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione

C24H15NO4 — CID 86010332

IUPAC5-acetyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione
SMILESCC(=O)N1C(=O)C(c2ccccc2)=c2cc3c(cc21)=C(c1ccccc1)C(=O)O3
InChIInChI=1S/C24H15NO4/c1-14(26)25-19-12-18-20(29-24(28)22(18)16-10-6-3-7-11-16)13-17(19)21(23(25)27)15-8-4-2-5-9-15/h2-13H,1H3
InChIKeyGQBBXGHCVOJXJW-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.90
Rot. Bonds2

About 5-acetyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione

5-acetyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione (PubChem CID 86010332) has the molecular formula C24H15NO4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 5-acetyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione.

Molecular Properties

Compound Name5-acetyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione
PubChem CID86010332
Molecular FormulaC24H15NO4
Molecular Weight381.39 g/mol
Exact Mass381.10
IUPAC Name5-acetyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione
SMILESCC(=O)N1C(=O)C(c2ccccc2)=c2cc3c(cc21)=C(c1ccccc1)C(=O)O3
InChIInChI=1S/C24H15NO4/c1-14(26)25-19-12-18-20(29-24(28)22(18)16-10-6-3-7-11-16)13-17(19)21(23(25)27)15-8-4-2-5-9-15/h2-13H,1H3
InChIKeyGQBBXGHCVOJXJW-UHFFFAOYSA-N
XLogP1.90
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione?
The IUPAC name of 5-acetyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione (CID 86010332) is 5-acetyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione.
What is the SMILES notation for 5-acetyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione?
The canonical SMILES for 5-acetyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione is CC(=O)N1C(=O)C(c2ccccc2)=c2cc3c(cc21)=C(c1ccccc1)C(=O)O3.
What is the InChIKey of 5-acetyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione?
The InChIKey is GQBBXGHCVOJXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NO4/c1-14(26)25-19-12-18-20(29-24(28)22(18)16-10-6-3-7-11-16)13-17(19)21(23(25)27)15-8-4-2-5-9-15/h2-13H,1H3.
What are the key properties of 5-acetyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione?
5-acetyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione has a molecular weight of 381.39 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione is sourced from PubChem (CID 86010332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).