benzo[b][1]benzazepin-11-yl(phenyl)methanone

C21H15NO — CID 571066

IUPACbenzo[b][1]benzazepin-11-yl(phenyl)methanone
SMILESO=C(c1ccccc1)N1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C21H15NO/c23-21(18-10-2-1-3-11-18)22-19-12-6-4-8-16(19)14-15-17-9-5-7-13-20(17)22/h1-15H
InChIKeyANHDOYXQBIZDSB-UHFFFAOYSA-N
MW297.36 g/mol
LogP5.15
Rot. Bonds1

About benzo[b][1]benzazepin-11-yl(phenyl)methanone

benzo[b][1]benzazepin-11-yl(phenyl)methanone (PubChem CID 571066) has the molecular formula C21H15NO and a molecular weight of 297.36 g/mol. Its IUPAC name is benzo[b][1]benzazepin-11-yl(phenyl)methanone.

Molecular Properties

Compound Namebenzo[b][1]benzazepin-11-yl(phenyl)methanone
PubChem CID571066
Molecular FormulaC21H15NO
Molecular Weight297.36 g/mol
Exact Mass297.12
IUPAC Namebenzo[b][1]benzazepin-11-yl(phenyl)methanone
SMILESO=C(c1ccccc1)N1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C21H15NO/c23-21(18-10-2-1-3-11-18)22-19-12-6-4-8-16(19)14-15-17-9-5-7-13-20(17)22/h1-15H
InChIKeyANHDOYXQBIZDSB-UHFFFAOYSA-N
XLogP5.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.36
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-(7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carbonyl)phenyl]-(7-azabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)methanone
CID 70257091
benzo[b][1]benzazepine-11-carbonylazanium bromide
CID 139146710
benzo[b][1]benzazepin-11-yl-(2,4,6-trichlorophenyl)methanone
CID 132531673
bis(benzo[b][1]benzazepine-11-carboxamide);propanedioic acid
CID 139194666
5-(benzo[b][1]benzazepine-11-carbonyl)furan-3-carboxamide
CID 167877748
1-benzo[b][1]benzazepin-11-yl-2-[2-(2-benzo[b][1]benzazepin-11-yl-2-oxoethoxy)ethoxy]ethanone
CID 90679975
benzo[b][1]benzazepin-11-yl-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone
CID 162650885
(1-methyl-1H-isoquinolin-2-yl)-phenylmethanone
CID 14417729
1,2-diphenylethane-1,2-dione bromide
CID 86754555
3-bromobenzo[b][1]benzazepine-11-carboxamide
CID 71449990
1-(4-fluorobenzoyl)-2H-quinoline-2-carboxylic acid
CID 21219139
11-phenylbenzo[b][1]benzazepine
CID 11514559

Frequently Asked Questions

What is the IUPAC name of benzo[b][1]benzazepin-11-yl(phenyl)methanone?
The IUPAC name of benzo[b][1]benzazepin-11-yl(phenyl)methanone (CID 571066) is benzo[b][1]benzazepin-11-yl(phenyl)methanone.
What is the SMILES notation for benzo[b][1]benzazepin-11-yl(phenyl)methanone?
The canonical SMILES for benzo[b][1]benzazepin-11-yl(phenyl)methanone is O=C(c1ccccc1)N1c2ccccc2C=Cc2ccccc21.
What is the InChIKey of benzo[b][1]benzazepin-11-yl(phenyl)methanone?
The InChIKey is ANHDOYXQBIZDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO/c23-21(18-10-2-1-3-11-18)22-19-12-6-4-8-16(19)14-15-17-9-5-7-13-20(17)22/h1-15H.
What are the key properties of benzo[b][1]benzazepin-11-yl(phenyl)methanone?
benzo[b][1]benzazepin-11-yl(phenyl)methanone has a molecular weight of 297.36 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[b][1]benzazepin-11-yl(phenyl)methanone is sourced from PubChem (CID 571066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).