1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-6-phenyl-
Basic information
- CAS
97832-73-0- Standard SMILES
c1ccc(C2=NCCc3c[nH]c4cccc2c34)cc1- InChIKey
PJXLTLYKMRZKEE-UHFFFAOYSA-N- Molecular formula
- C17H14N2
- Average molar mass
- 246.31 g/mol
- Monoisotopic mass
- 246.11569846
Names & identifiers
- Preferred name
- 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-6-phenyl-
- IUPAC
- 9-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),9-pentaene
Names & synonyms
BRN 05328881H-AZEPINO(5,4,3-cd)INDOLE, 3,4-DIHYDRO-6-PHENYL-3,4-Dihydro-6-phenyl-1H-azepino(5,4,3-cd)indole97832-73-0DTXSID802432765-23-09-00410 (Beilstein Handbook Reference)RefChem:237403DTXCID801657676-Phenyl-3,4-dihydro-1H-azepino[5,4,3-cd]indole
Database identifiers
- CAS
97832-73-0- PubChem CID
- 57323
- DTXSID
DTXSID80243276- Nikkaji
- J84.647C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 356
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Compound notes
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