11H-benzo[b][1]benzazepine

C14H11N — CID 9212

IUPAC11H-benzo[b][1]benzazepine
SMILESC1=Cc2ccccc2Nc2ccccc21
InChIInChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H
InChIKeyLCGTWRLJTMHIQZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP3.91
Rot. Bonds

About 11H-benzo[b][1]benzazepine

11H-benzo[b][1]benzazepine (PubChem CID 9212) has the molecular formula C14H11N and a molecular weight of 193.25 g/mol. Its IUPAC name is 11H-benzo[b][1]benzazepine.

Molecular Properties

Compound Name11H-benzo[b][1]benzazepine
PubChem CID9212
Molecular FormulaC14H11N
Molecular Weight193.25 g/mol
Exact Mass193.09
IUPAC Name11H-benzo[b][1]benzazepine
SMILESC1=Cc2ccccc2Nc2ccccc21
InChIInChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H
InChIKeyLCGTWRLJTMHIQZ-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11H-benzo[b][1]benzazepine?
The IUPAC name of 11H-benzo[b][1]benzazepine (CID 9212) is 11H-benzo[b][1]benzazepine.
What is the SMILES notation for 11H-benzo[b][1]benzazepine?
The canonical SMILES for 11H-benzo[b][1]benzazepine is C1=Cc2ccccc2Nc2ccccc21.
What is the InChIKey of 11H-benzo[b][1]benzazepine?
The InChIKey is LCGTWRLJTMHIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H.
What are the key properties of 11H-benzo[b][1]benzazepine?
11H-benzo[b][1]benzazepine has a molecular weight of 193.25 g/mol, XLogP of 3.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-benzo[b][1]benzazepine is sourced from PubChem (CID 9212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).