3-(5,6-difluoro-1-benzofuran-3-yl)-4-(1-methylbenzo[g]indol-3-yl)pyrrole-2,5-dione

C25H14F2N2O3 — CID 44582871

IUPAC3-(5,6-difluoro-1-benzofuran-3-yl)-4-(1-methylbenzo[g]indol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3coc4cc(F)c(F)cc34)C(=O)NC2=O)c2ccc3ccccc3c21
InChIInChI=1S/C25H14F2N2O3/c1-29-10-16(14-7-6-12-4-2-3-5-13(12)23(14)29)21-22(25(31)28-24(21)30)17-11-32-20-9-19(27)18(26)8-15(17)20/h2-11H,1H3,(H,28,30,31)
InChIKeyCMNDAEBGRVBJOA-UHFFFAOYSA-N
MW428.39 g/mol
LogP4.92
Rot. Bonds2

About 3-(5,6-difluoro-1-benzofuran-3-yl)-4-(1-methylbenzo[g]indol-3-yl)pyrrole-2,5-dione

3-(5,6-difluoro-1-benzofuran-3-yl)-4-(1-methylbenzo[g]indol-3-yl)pyrrole-2,5-dione (PubChem CID 44582871) has the molecular formula C25H14F2N2O3 and a molecular weight of 428.39 g/mol. Its IUPAC name is 3-(5,6-difluoro-1-benzofuran-3-yl)-4-(1-methylbenzo[g]indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(5,6-difluoro-1-benzofuran-3-yl)-4-(1-methylbenzo[g]indol-3-yl)pyrrole-2,5-dione
PubChem CID44582871
Molecular FormulaC25H14F2N2O3
Molecular Weight428.39 g/mol
Exact Mass428.10
IUPAC Name3-(5,6-difluoro-1-benzofuran-3-yl)-4-(1-methylbenzo[g]indol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3coc4cc(F)c(F)cc34)C(=O)NC2=O)c2ccc3ccccc3c21
InChIInChI=1S/C25H14F2N2O3/c1-29-10-16(14-7-6-12-4-2-3-5-13(12)23(14)29)21-22(25(31)28-24(21)30)17-11-32-20-9-19(27)18(26)8-15(17)20/h2-11H,1H3,(H,28,30,31)
InChIKeyCMNDAEBGRVBJOA-UHFFFAOYSA-N
XLogP4.92
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-difluoro-1-benzofuran-3-yl)-4-(1-methylbenzo[g]indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(5,6-difluoro-1-benzofuran-3-yl)-4-(1-methylbenzo[g]indol-3-yl)pyrrole-2,5-dione (CID 44582871) is 3-(5,6-difluoro-1-benzofuran-3-yl)-4-(1-methylbenzo[g]indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(5,6-difluoro-1-benzofuran-3-yl)-4-(1-methylbenzo[g]indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(5,6-difluoro-1-benzofuran-3-yl)-4-(1-methylbenzo[g]indol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3coc4cc(F)c(F)cc34)C(=O)NC2=O)c2ccc3ccccc3c21.
What is the InChIKey of 3-(5,6-difluoro-1-benzofuran-3-yl)-4-(1-methylbenzo[g]indol-3-yl)pyrrole-2,5-dione?
The InChIKey is CMNDAEBGRVBJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14F2N2O3/c1-29-10-16(14-7-6-12-4-2-3-5-13(12)23(14)29)21-22(25(31)28-24(21)30)17-11-32-20-9-19(27)18(26)8-15(17)20/h2-11H,1H3,(H,28,30,31).
What are the key properties of 3-(5,6-difluoro-1-benzofuran-3-yl)-4-(1-methylbenzo[g]indol-3-yl)pyrrole-2,5-dione?
3-(5,6-difluoro-1-benzofuran-3-yl)-4-(1-methylbenzo[g]indol-3-yl)pyrrole-2,5-dione has a molecular weight of 428.39 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-difluoro-1-benzofuran-3-yl)-4-(1-methylbenzo[g]indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 44582871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).