1a,9b-Dihydro-1-((4-methylphenyl)methyl)-1H-phenanthro(9,10-b)azirine
Basic information
- CAS
126420-94-8- Standard SMILES
Cc1ccc(CN2C3c4ccccc4-c4ccccc4C32)cc1- InChIKey
NTQYGHHSHQTSRR-UHFFFAOYSA-N- Molecular formula
- C22H19N
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.15174961
Names & identifiers
- Preferred name
- 1a,9b-Dihydro-1-((4-methylphenyl)methyl)-1H-phenanthro(9,10-b)azirine
- IUPAC
- 1-[(4-methylphenyl)methyl]-1a,9b-dihydrophenanthro[9,10-b]azirine
Names & synonyms
126420-94-8CCRIS 36881a,9b-Dihydro-1-((4-methylphenyl)methyl)-1H-phenanthro(9,10-b)azirineDTXSID409255461-[(4-Methylphenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene1-[(4-Methylphenyl)methyl]-1a,9b-dihydro-1H-phenanthro[9,10-b]azirine1A,9B-DIHYDRO-1-[4-METHYLPHENYL)METHYL]-1H-PHENANTHRO[9,10-B]AZIRINE
Database identifiers
- CAS
126420-94-8- PubChem CID
- 147983
- DTXSID
DTXSID40925546
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 396
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Compound notes
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