3-phenyl-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-one

HCID 57722772
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Basic information

Standard SMILES
O=c1c2ccccc2ccc2ncc(-c3ccccc3)cc12
InChIKey
NMJRELYSQKWQJN-UHFFFAOYSA-N
Molecular formula
C20H13NO
Average molar mass
283.3 g/mol
Monoisotopic mass
283.09971404

Names & identifiers

Preferred name
3-phenyl-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-one
IUPAC
5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one

Names & synonyms

SCHEMBL23307073-phenyl-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-oneNMJRELYSQKWQJN-UHFFFAOYSA-N

Database identifiers

PubChem CID
57722772

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
30 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

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