5-[4-(Dipropylamino)phenyl]-3,3-dimethyl-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one
Basic information
- CAS
330472-30-5- Standard SMILES
CCCN(CCC)c1ccc(C2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)cc1- InChIKey
FMJXMNMBDMIYGE-UHFFFAOYSA-N- Molecular formula
- C31H36N2O
- Average molar mass
- 452.6 g/mol
Names & identifiers
- Preferred name
- 5-[4-(Dipropylamino)phenyl]-3,3-dimethyl-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one
- IUPAC
- 5-[4-(dipropylamino)phenyl]-3,3-dimethyl-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one
- English name
- 5-[4-(dipropylamino)phenyl]-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
- Molecular formula
- C31H36N2O
- Molecular weight
- 452.63034
Names & synonyms
5-[4-(dipropylamino)phenyl]-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-oneOprea1_644969Oprea1_793430AKOS0243542145-[4-(dipropylamino)phenyl]-3,3-dimethyl-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-oneST50980656AG-690/118201185-[4-(dipropylamino)phenyl]-3,3-dimethyl-2,3,4,5,6-pentahydrobenzo[a]phenanthr idin-1-one
Database identifiers
- CAS
330472-30-5
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 755
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