3,4-bis(6-fluoro-1H-indol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione

C28H16F5N3O2 — CID 19429586

IUPAC3,4-bis(6-fluoro-1H-indol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione
SMILESO=C1C(c2c[nH]c3cc(F)ccc23)=C(c2c[nH]c3cc(F)ccc23)C(=O)N1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H16F5N3O2/c29-16-4-6-18-20(11-34-22(18)9-16)24-25(21-12-35-23-10-17(30)5-7-19(21)23)27(38)36(26(24)37)13-14-2-1-3-15(8-14)28(31,32)33/h1-12,34-35H,13H2
InChIKeyOQFZLRARJIJBGW-UHFFFAOYSA-N
MW521.45 g/mol
LogP6.43
Rot. Bonds4

About 3,4-bis(6-fluoro-1H-indol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione

3,4-bis(6-fluoro-1H-indol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione (PubChem CID 19429586) has the molecular formula C28H16F5N3O2 and a molecular weight of 521.45 g/mol. Its IUPAC name is 3,4-bis(6-fluoro-1H-indol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-bis(6-fluoro-1H-indol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione
PubChem CID19429586
Molecular FormulaC28H16F5N3O2
Molecular Weight521.45 g/mol
Exact Mass521.12
IUPAC Name3,4-bis(6-fluoro-1H-indol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione
SMILESO=C1C(c2c[nH]c3cc(F)ccc23)=C(c2c[nH]c3cc(F)ccc23)C(=O)N1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H16F5N3O2/c29-16-4-6-18-20(11-34-22(18)9-16)24-25(21-12-35-23-10-17(30)5-7-19(21)23)27(38)36(26(24)37)13-14-2-1-3-15(8-14)28(31,32)33/h1-12,34-35H,13H2
InChIKeyOQFZLRARJIJBGW-UHFFFAOYSA-N
XLogP6.43
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.45
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,4-bis(6-fluoro-1H-indol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(6-fluoro-1H-indol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione?
The IUPAC name of 3,4-bis(6-fluoro-1H-indol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione (CID 19429586) is 3,4-bis(6-fluoro-1H-indol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione.
What is the SMILES notation for 3,4-bis(6-fluoro-1H-indol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione?
The canonical SMILES for 3,4-bis(6-fluoro-1H-indol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione is O=C1C(c2c[nH]c3cc(F)ccc23)=C(c2c[nH]c3cc(F)ccc23)C(=O)N1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3,4-bis(6-fluoro-1H-indol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione?
The InChIKey is OQFZLRARJIJBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16F5N3O2/c29-16-4-6-18-20(11-34-22(18)9-16)24-25(21-12-35-23-10-17(30)5-7-19(21)23)27(38)36(26(24)37)13-14-2-1-3-15(8-14)28(31,32)33/h1-12,34-35H,13H2.
What are the key properties of 3,4-bis(6-fluoro-1H-indol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione?
3,4-bis(6-fluoro-1H-indol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione has a molecular weight of 521.45 g/mol, XLogP of 6.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(6-fluoro-1H-indol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione is sourced from PubChem (CID 19429586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).