1,7b,10-Triazabenzo(5,6)cyclohepta(1,2,3-jk)fluoren-5-ol,1,2,3,8,13,13a-hexahydro-1,8-dimethyl-
Basic information
- CAS
79034-10-9- Standard SMILES
CC1c2cnccc2CC2c3c(c4cc(O)ccc4n31)CCN2C- InChIKey
CGXLYDUJMIRJAP-UHFFFAOYSA-N- Molecular formula
- C20H21N3O
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.1684623
Names & identifiers
- Preferred name
- 1,7b,10-Triazabenzo(5,6)cyclohepta(1,2,3-jk)fluoren-5-ol,1,2,3,8,13,13a-hexahydro-1,8-dimethyl-
- IUPAC
- 11,20-dimethyl-1,11,17-triazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2(7),3,5,8(21),14(19),15,17-heptaen-5-ol
Names & synonyms
79034-10-91,7b,10-Triazabenzo(5,6)cyclohepta(1,2,3-jk)fluoren-5-ol,1,2,3,8,13,13a-hexahydro-1,8-dimethyl-DTXSID8010002131,8-Dimethyl-1,2,3,8,13,13a-hexahydro-1,7b,10-triazabenzo[5,6]cyclohepta[1,2,3-jk]fluoren-5-ol7,13-dimethyl-5,6,7,7a,8,13-hexahydro-7,11,13a-triazabenzo[5,6]cyclohepta[1,2,3-jk]fluoren-3-ol
Database identifiers
- CAS
79034-10-9- PubChem CID
- 157368
- DTXSID
DTXSID801000213
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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