11-iminobenzo[b][1]benzothiepine

C14H11NS — CID 21415417

IUPAC11-iminobenzo[b][1]benzothiepine
SMILES[H]N=S1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C14H11NS/c15-16-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-10,15H
InChIKeyLCOKSDYLFCNSLG-UHFFFAOYSA-N
MW225.32 g/mol
LogP3.97
Rot. Bonds

About 11-iminobenzo[b][1]benzothiepine

11-iminobenzo[b][1]benzothiepine (PubChem CID 21415417) has the molecular formula C14H11NS and a molecular weight of 225.32 g/mol. Its IUPAC name is 11-iminobenzo[b][1]benzothiepine.

Molecular Properties

Compound Name11-iminobenzo[b][1]benzothiepine
PubChem CID21415417
Molecular FormulaC14H11NS
Molecular Weight225.32 g/mol
Exact Mass225.06
IUPAC Name11-iminobenzo[b][1]benzothiepine
SMILES[H]N=S1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C14H11NS/c15-16-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-10,15H
InChIKeyLCOKSDYLFCNSLG-UHFFFAOYSA-N
XLogP3.97
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 53.97
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 11-iminobenzo[b][1]benzothiepine?
The IUPAC name of 11-iminobenzo[b][1]benzothiepine (CID 21415417) is 11-iminobenzo[b][1]benzothiepine.
What is the SMILES notation for 11-iminobenzo[b][1]benzothiepine?
The canonical SMILES for 11-iminobenzo[b][1]benzothiepine is [H]N=S1c2ccccc2C=Cc2ccccc21.
What is the InChIKey of 11-iminobenzo[b][1]benzothiepine?
The InChIKey is LCOKSDYLFCNSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NS/c15-16-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-10,15H.
What are the key properties of 11-iminobenzo[b][1]benzothiepine?
11-iminobenzo[b][1]benzothiepine has a molecular weight of 225.32 g/mol, XLogP of 3.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-iminobenzo[b][1]benzothiepine is sourced from PubChem (CID 21415417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).