5-(4-fluorophenyl)-3,7-diphenyl-4H-diazepine

C23H17FN2 — CID 2810038

IUPAC5-(4-fluorophenyl)-3,7-diphenyl-4H-diazepine
SMILESFc1ccc(C2=CC(c3ccccc3)=NN=C(c3ccccc3)C2)cc1
InChIInChI=1S/C23H17FN2/c24-21-13-11-17(12-14-21)20-15-22(18-7-3-1-4-8-18)25-26-23(16-20)19-9-5-2-6-10-19/h1-15H,16H2
InChIKeyRMNBCOIFMDANCA-UHFFFAOYSA-N
MW340.40 g/mol
LogP5.51
Rot. Bonds3

About 5-(4-fluorophenyl)-3,7-diphenyl-4H-diazepine

5-(4-fluorophenyl)-3,7-diphenyl-4H-diazepine (PubChem CID 2810038) has the molecular formula C23H17FN2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3,7-diphenyl-4H-diazepine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3,7-diphenyl-4H-diazepine
PubChem CID2810038
Molecular FormulaC23H17FN2
Molecular Weight340.40 g/mol
Exact Mass340.14
IUPAC Name5-(4-fluorophenyl)-3,7-diphenyl-4H-diazepine
SMILESFc1ccc(C2=CC(c3ccccc3)=NN=C(c3ccccc3)C2)cc1
InChIInChI=1S/C23H17FN2/c24-21-13-11-17(12-14-21)20-15-22(18-7-3-1-4-8-18)25-26-23(16-20)19-9-5-2-6-10-19/h1-15H,16H2
InChIKeyRMNBCOIFMDANCA-UHFFFAOYSA-N
XLogP5.51
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.40
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(4-fluorophenyl)-3,7-diphenyl-4H-diazepine 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 5-(4-fluorophenyl)-3,7-diphenyl-4H-diazepine?
The IUPAC name of 5-(4-fluorophenyl)-3,7-diphenyl-4H-diazepine (CID 2810038) is 5-(4-fluorophenyl)-3,7-diphenyl-4H-diazepine.
What is the SMILES notation for 5-(4-fluorophenyl)-3,7-diphenyl-4H-diazepine?
The canonical SMILES for 5-(4-fluorophenyl)-3,7-diphenyl-4H-diazepine is Fc1ccc(C2=CC(c3ccccc3)=NN=C(c3ccccc3)C2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3,7-diphenyl-4H-diazepine?
The InChIKey is RMNBCOIFMDANCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2/c24-21-13-11-17(12-14-21)20-15-22(18-7-3-1-4-8-18)25-26-23(16-20)19-9-5-2-6-10-19/h1-15H,16H2.
What are the key properties of 5-(4-fluorophenyl)-3,7-diphenyl-4H-diazepine?
5-(4-fluorophenyl)-3,7-diphenyl-4H-diazepine has a molecular weight of 340.40 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3,7-diphenyl-4H-diazepine is sourced from PubChem (CID 2810038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).