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

C23H15NO3 — CID 88741527

IUPAC5-methyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione
SMILESCN1C(=O)C(c2ccccc2)=c2cc3c(cc21)=C(c1ccccc1)C(=O)O3
InChIInChI=1S/C23H15NO3/c1-24-18-12-17-19(27-23(26)21(17)15-10-6-3-7-11-15)13-16(18)20(22(24)25)14-8-4-2-5-9-14/h2-13H,1H3
InChIKeySHHSYCYPARTIPY-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.98
Rot. Bonds2

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

5-methyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione (PubChem CID 88741527) has the molecular formula C23H15NO3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-methyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione.

Molecular Properties

Compound Name5-methyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione
PubChem CID88741527
Molecular FormulaC23H15NO3
Molecular Weight353.38 g/mol
Exact Mass353.11
IUPAC Name5-methyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione
SMILESCN1C(=O)C(c2ccccc2)=c2cc3c(cc21)=C(c1ccccc1)C(=O)O3
InChIInChI=1S/C23H15NO3/c1-24-18-12-17-19(27-23(26)21(17)15-10-6-3-7-11-15)13-16(18)20(22(24)25)14-8-4-2-5-9-14/h2-13H,1H3
InChIKeySHHSYCYPARTIPY-UHFFFAOYSA-N
XLogP1.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione?
The IUPAC name of 5-methyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione (CID 88741527) is 5-methyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione.
What is the SMILES notation for 5-methyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione?
The canonical SMILES for 5-methyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione is CN1C(=O)C(c2ccccc2)=c2cc3c(cc21)=C(c1ccccc1)C(=O)O3.
What is the InChIKey of 5-methyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione?
The InChIKey is SHHSYCYPARTIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO3/c1-24-18-12-17-19(27-23(26)21(17)15-10-6-3-7-11-15)13-16(18)20(22(24)25)14-8-4-2-5-9-14/h2-13H,1H3.
What are the key properties of 5-methyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione?
5-methyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione has a molecular weight of 353.38 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,7-diphenylfuro[2,3-f]indole-2,6-dione is sourced from PubChem (CID 88741527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).