7H-benzo[d][2]benzazepine

C14H11N — CID 6451520

IUPAC7H-benzo[d][2]benzazepine
SMILESC1=NCc2ccccc2-c2ccccc21
InChIInChI=1S/C14H11N/c1-3-7-13-11(5-1)9-15-10-12-6-2-4-8-14(12)13/h1-9H,10H2
InChIKeyXCFNJQFEOFKMOS-UHFFFAOYSA-N
MW193.25 g/mol
LogP3.29
Rot. Bonds

About 7H-benzo[d][2]benzazepine

7H-benzo[d][2]benzazepine (PubChem CID 6451520) has the molecular formula C14H11N and a molecular weight of 193.25 g/mol. Its IUPAC name is 7H-benzo[d][2]benzazepine.

Molecular Properties

Compound Name7H-benzo[d][2]benzazepine
PubChem CID6451520
Molecular FormulaC14H11N
Molecular Weight193.25 g/mol
Exact Mass193.09
IUPAC Name7H-benzo[d][2]benzazepine
SMILESC1=NCc2ccccc2-c2ccccc21
InChIInChI=1S/C14H11N/c1-3-7-13-11(5-1)9-15-10-12-6-2-4-8-14(12)13/h1-9H,10H2
InChIKeyXCFNJQFEOFKMOS-UHFFFAOYSA-N
XLogP3.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7H-benzo[d][2]benzazepine?
The IUPAC name of 7H-benzo[d][2]benzazepine (CID 6451520) is 7H-benzo[d][2]benzazepine.
What is the SMILES notation for 7H-benzo[d][2]benzazepine?
The canonical SMILES for 7H-benzo[d][2]benzazepine is C1=NCc2ccccc2-c2ccccc21.
What is the InChIKey of 7H-benzo[d][2]benzazepine?
The InChIKey is XCFNJQFEOFKMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-15-10-12-6-2-4-8-14(12)13/h1-9H,10H2.
What are the key properties of 7H-benzo[d][2]benzazepine?
7H-benzo[d][2]benzazepine has a molecular weight of 193.25 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-benzo[d][2]benzazepine is sourced from PubChem (CID 6451520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).