2,2-dimethyl-5-(thiophen-2-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Basic information
- CAS
5485-58-5- Standard SMILES
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)NC2c1cccs1- InChIKey
PSELCMHQLBCVRM-UHFFFAOYSA-N- Molecular formula
- C23H21NOS
- Average molar mass
- 359.5 g/mol
- Monoisotopic mass
- 359.13438547
Names & identifiers
- Preferred name
- 2,2-dimethyl-5-(thiophen-2-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
- IUPAC
- 2,2-dimethyl-5-thiophen-2-yl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
Names & synonyms
2,2-dimethyl-5-(thiophen-2-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one5485-58-5329734-44-32,2-DIMETHYL-5-(THIOPHEN-2-YL)-1H,3H,5H,6H-BENZO[A]PHENANTHRIDIN-4-ONECBMicro_022256Oprea1_249062Oprea1_374419DTXSID40385929CCG-9325STK7949532,2-dimethyl-5-thiophen-2-yl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-oneAKOS000605219
Show more names
AKOS016088701BIM-0022193.P001ST4041383ST501017742,2-dimethyl-5-(2-thienyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Database identifiers
- CAS
5485-58-5- PubChem CID
- 2848883
- DTXSID
DTXSID40385929
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 624
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Related reactions
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Compound notes
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