11-phenyl-5H-benzo[c][1,6]benzodiazocin-6-one

C20H14N2O — CID 2806509

IUPAC11-phenyl-5H-benzo[c][1,6]benzodiazocin-6-one
SMILESO=C1Nc2ccccc2/N=C(/c2ccccc2)c2ccccc21
InChIInChI=1S/C20H14N2O/c23-20-16-11-5-4-10-15(16)19(14-8-2-1-3-9-14)21-17-12-6-7-13-18(17)22-20/h1-13H,(H,22,23)
InChIKeyAJEYJBNDBRFYMM-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.42
Rot. Bonds1

About 11-phenyl-5H-benzo[c][1,6]benzodiazocin-6-one

11-phenyl-5H-benzo[c][1,6]benzodiazocin-6-one (PubChem CID 2806509) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is 11-phenyl-5H-benzo[c][1,6]benzodiazocin-6-one.

Molecular Properties

Compound Name11-phenyl-5H-benzo[c][1,6]benzodiazocin-6-one
PubChem CID2806509
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name11-phenyl-5H-benzo[c][1,6]benzodiazocin-6-one
SMILESO=C1Nc2ccccc2/N=C(/c2ccccc2)c2ccccc21
InChIInChI=1S/C20H14N2O/c23-20-16-11-5-4-10-15(16)19(14-8-2-1-3-9-14)21-17-12-6-7-13-18(17)22-20/h1-13H,(H,22,23)
InChIKeyAJEYJBNDBRFYMM-UHFFFAOYSA-N
XLogP4.42
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-phenyl-5H-benzo[c][1,6]benzodiazocin-6-one?
The IUPAC name of 11-phenyl-5H-benzo[c][1,6]benzodiazocin-6-one (CID 2806509) is 11-phenyl-5H-benzo[c][1,6]benzodiazocin-6-one.
What is the SMILES notation for 11-phenyl-5H-benzo[c][1,6]benzodiazocin-6-one?
The canonical SMILES for 11-phenyl-5H-benzo[c][1,6]benzodiazocin-6-one is O=C1Nc2ccccc2/N=C(/c2ccccc2)c2ccccc21.
What is the InChIKey of 11-phenyl-5H-benzo[c][1,6]benzodiazocin-6-one?
The InChIKey is AJEYJBNDBRFYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O/c23-20-16-11-5-4-10-15(16)19(14-8-2-1-3-9-14)21-17-12-6-7-13-18(17)22-20/h1-13H,(H,22,23).
What are the key properties of 11-phenyl-5H-benzo[c][1,6]benzodiazocin-6-one?
11-phenyl-5H-benzo[c][1,6]benzodiazocin-6-one has a molecular weight of 298.35 g/mol, XLogP of 4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-5H-benzo[c][1,6]benzodiazocin-6-one is sourced from PubChem (CID 2806509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).