Basic information
- CAS
860787-07-1- Standard SMILES
COc1ccc(Cn2c3c(c4ccccc42)CCc2cc4c(OC)ccc(OC)c4nc2-3)cc1- InChIKey
IVOQTHMWTHHJOG-UHFFFAOYSA-N- Molecular formula
- C29H26N2O3
- Average molar mass
- 450.5 g/mol
Names & identifiers
- Preferred name
- 8,11-dimethoxy-13-(4-methoxybenzyl)-6,13-dihydro-5H-indolo[3,2-c]acridine
- IUPAC
- 8,11-dimethoxy-13-[(4-methoxyphenyl)methyl]-5,6-dihydroindolo[3,2-c]acridine
- English name
- 4-[(8,11-Dimethoxy-5,6-dihydro-13H-indolo[3,2-c]acridin-13-yl)methyl]phenyl methyl ether
- Molecular formula
- C29H26N2O3
- Molecular weight
- 450.53
Names & synonyms
860787-07-18,11-dimethoxy-13-(4-methoxybenzyl)-6,13-dihydro-5H-indolo[3,2-c]acridine8,11-dimethoxy-13-[(4-methoxyphenyl)methyl]-5,6-dihydroindolo[3,2-c]acridine16,19-dimethoxy-3-[(4-methoxyphenyl)methyl]-3,21-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-1(21),2(10),4(9),5,7,13,15(20),16,18-nonaeneAKOS00508167512W-08355H-Acrindoline, 6,13-dihydro-8,11-dimethoxy-13-[(4-methoxyphenyl)methyl]-4-[(8,11-Dimethoxy-5,6-dihydro-13H-indolo[3,2-c]acridin-13-yl)methyl]phenyl methyl ether
Database identifiers
- CAS
860787-07-1
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 682
Physicochemical properties
- Boiling point
- 695.7 · 695.7±55.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 3.43 · 3.43±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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