11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene

C24H18F2N2 — CID 58377434

IUPAC11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene
SMILESC=C1NN=C2c3c(cccc31)CC(c1ccc(F)cc1)C2c1ccc(F)cc1
InChIInChI=1S/C24H18F2N2/c1-14-20-4-2-3-17-13-21(15-5-9-18(25)10-6-15)22(24(23(17)20)28-27-14)16-7-11-19(26)12-8-16/h2-12,21-22,27H,1,13H2
InChIKeyWHZYHQBGEFNUSA-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.37
Rot. Bonds2

About 11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene

11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene (PubChem CID 58377434) has the molecular formula C24H18F2N2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene.

Molecular Properties

Compound Name11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene
PubChem CID58377434
Molecular FormulaC24H18F2N2
Molecular Weight372.42 g/mol
Exact Mass372.14
IUPAC Name11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene
SMILESC=C1NN=C2c3c(cccc31)CC(c1ccc(F)cc1)C2c1ccc(F)cc1
InChIInChI=1S/C24H18F2N2/c1-14-20-4-2-3-17-13-21(15-5-9-18(25)10-6-15)22(24(23(17)20)28-27-14)16-7-11-19(26)12-8-16/h2-12,21-22,27H,1,13H2
InChIKeyWHZYHQBGEFNUSA-UHFFFAOYSA-N
XLogP5.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene 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 11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene?
The IUPAC name of 11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene (CID 58377434) is 11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene.
What is the SMILES notation for 11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene?
The canonical SMILES for 11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene is C=C1NN=C2c3c(cccc31)CC(c1ccc(F)cc1)C2c1ccc(F)cc1.
What is the InChIKey of 11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene?
The InChIKey is WHZYHQBGEFNUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2/c1-14-20-4-2-3-17-13-21(15-5-9-18(25)10-6-15)22(24(23(17)20)28-27-14)16-7-11-19(26)12-8-16/h2-12,21-22,27H,1,13H2.
What are the key properties of 11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene?
11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene has a molecular weight of 372.42 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-bis(4-fluorophenyl)-4-methylidene-2,3-diazatricyclo[7.3.1.05,13]trideca-1,5,7,9(13)-tetraene is sourced from PubChem (CID 58377434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).