10-[bis(4-bromophenyl)methylidene]-4-(2,4,6-trifluorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C28H16Br2F3NO2 — CID 43835862

IUPAC10-[bis(4-bromophenyl)methylidene]-4-(2,4,6-trifluorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1C2C3C=CC(C3=C(c3ccc(Br)cc3)c3ccc(Br)cc3)C2C(=O)N1c1c(F)cc(F)cc1F
InChIInChI=1S/C28H16Br2F3NO2/c29-15-5-1-13(2-6-15)22(14-3-7-16(30)8-4-14)23-18-9-10-19(23)25-24(18)27(35)34(28(25)36)26-20(32)11-17(31)12-21(26)33/h1-12,18-19,24-25H
InChIKeySSZRWWDJYJEZOJ-UHFFFAOYSA-N
MW615.24 g/mol
LogP7.05
Rot. Bonds3

About 10-[bis(4-bromophenyl)methylidene]-4-(2,4,6-trifluorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

10-[bis(4-bromophenyl)methylidene]-4-(2,4,6-trifluorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 43835862) has the molecular formula C28H16Br2F3NO2 and a molecular weight of 615.24 g/mol. Its IUPAC name is 10-[bis(4-bromophenyl)methylidene]-4-(2,4,6-trifluorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name10-[bis(4-bromophenyl)methylidene]-4-(2,4,6-trifluorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID43835862
Molecular FormulaC28H16Br2F3NO2
Molecular Weight615.24 g/mol
Exact Mass612.95
IUPAC Name10-[bis(4-bromophenyl)methylidene]-4-(2,4,6-trifluorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1C2C3C=CC(C3=C(c3ccc(Br)cc3)c3ccc(Br)cc3)C2C(=O)N1c1c(F)cc(F)cc1F
InChIInChI=1S/C28H16Br2F3NO2/c29-15-5-1-13(2-6-15)22(14-3-7-16(30)8-4-14)23-18-9-10-19(23)25-24(18)27(35)34(28(25)36)26-20(32)11-17(31)12-21(26)33/h1-12,18-19,24-25H
InChIKeySSZRWWDJYJEZOJ-UHFFFAOYSA-N
XLogP7.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.24
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-[bis(4-bromophenyl)methylidene]-4-(2,4,6-trifluorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-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 10-[bis(4-bromophenyl)methylidene]-4-(2,4,6-trifluorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 10-[bis(4-bromophenyl)methylidene]-4-(2,4,6-trifluorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 43835862) is 10-[bis(4-bromophenyl)methylidene]-4-(2,4,6-trifluorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 10-[bis(4-bromophenyl)methylidene]-4-(2,4,6-trifluorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 10-[bis(4-bromophenyl)methylidene]-4-(2,4,6-trifluorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is O=C1C2C3C=CC(C3=C(c3ccc(Br)cc3)c3ccc(Br)cc3)C2C(=O)N1c1c(F)cc(F)cc1F.
What is the InChIKey of 10-[bis(4-bromophenyl)methylidene]-4-(2,4,6-trifluorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is SSZRWWDJYJEZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16Br2F3NO2/c29-15-5-1-13(2-6-15)22(14-3-7-16(30)8-4-14)23-18-9-10-19(23)25-24(18)27(35)34(28(25)36)26-20(32)11-17(31)12-21(26)33/h1-12,18-19,24-25H.
What are the key properties of 10-[bis(4-bromophenyl)methylidene]-4-(2,4,6-trifluorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
10-[bis(4-bromophenyl)methylidene]-4-(2,4,6-trifluorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 615.24 g/mol, XLogP of 7.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[bis(4-bromophenyl)methylidene]-4-(2,4,6-trifluorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 43835862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).