7-fluoro-2,5-diphenyl-3H-1,3,4-benzotriazepine

C20H14FN3 — CID 135494835

IUPAC7-fluoro-2,5-diphenyl-3H-1,3,4-benzotriazepine
SMILESFc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccccc1)=N2
InChIInChI=1S/C20H14FN3/c21-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)23-24-20(22-18)15-9-5-2-6-10-15/h1-13H,(H,22,24)
InChIKeyJDLXELXIMHXQIY-UHFFFAOYSA-N
MW315.35 g/mol
LogP4.26
Rot. Bonds2

About 7-fluoro-2,5-diphenyl-3H-1,3,4-benzotriazepine

7-fluoro-2,5-diphenyl-3H-1,3,4-benzotriazepine (PubChem CID 135494835) has the molecular formula C20H14FN3 and a molecular weight of 315.35 g/mol. Its IUPAC name is 7-fluoro-2,5-diphenyl-3H-1,3,4-benzotriazepine.

Molecular Properties

Compound Name7-fluoro-2,5-diphenyl-3H-1,3,4-benzotriazepine
PubChem CID135494835
Molecular FormulaC20H14FN3
Molecular Weight315.35 g/mol
Exact Mass315.12
IUPAC Name7-fluoro-2,5-diphenyl-3H-1,3,4-benzotriazepine
SMILESFc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccccc1)=N2
InChIInChI=1S/C20H14FN3/c21-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)23-24-20(22-18)15-9-5-2-6-10-15/h1-13H,(H,22,24)
InChIKeyJDLXELXIMHXQIY-UHFFFAOYSA-N
XLogP4.26
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,5-diphenyl-3H-1,3,4-benzotriazepine?
The IUPAC name of 7-fluoro-2,5-diphenyl-3H-1,3,4-benzotriazepine (CID 135494835) is 7-fluoro-2,5-diphenyl-3H-1,3,4-benzotriazepine.
What is the SMILES notation for 7-fluoro-2,5-diphenyl-3H-1,3,4-benzotriazepine?
The canonical SMILES for 7-fluoro-2,5-diphenyl-3H-1,3,4-benzotriazepine is Fc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccccc1)=N2.
What is the InChIKey of 7-fluoro-2,5-diphenyl-3H-1,3,4-benzotriazepine?
The InChIKey is JDLXELXIMHXQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3/c21-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)23-24-20(22-18)15-9-5-2-6-10-15/h1-13H,(H,22,24).
What are the key properties of 7-fluoro-2,5-diphenyl-3H-1,3,4-benzotriazepine?
7-fluoro-2,5-diphenyl-3H-1,3,4-benzotriazepine has a molecular weight of 315.35 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,5-diphenyl-3H-1,3,4-benzotriazepine is sourced from PubChem (CID 135494835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).