6-(Benzylideneamino)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
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Basic information
- CAS
94873-12-8- Standard SMILES
O=C1c2ccc3c4c(ccc(c24)C(=O)N1N=Cc1ccccc1)CC3- InChIKey
QVHLGSAEVDFGKR-UHFFFAOYSA-N- Molecular formula
- C21H14N2O2
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 326.10552769
Names & identifiers
- Preferred name
- 6-(Benzylideneamino)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
- IUPAC
- 6-(benzylideneamino)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
- English name
- 2-(benzylideneamino)-6,7-dihydro-1H-indeno[6,7,1-def]isoquinoline-1,3(2H)-dione
- Molecular formula
- C21H14N2O2
- Molecular weight
- 326.35
Names & synonyms
CBMicro_037432Oprea1_4390662-(benzylideneamino)-6,7-dihydro-1H-indeno[6,7,1-def]isoquinoline-1,3(2H)-dione
Database identifiers
- CAS
94873-12-8- PubChem CID
- 877414
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 559
Physicochemical properties
- Boiling point
- 581.518 · 581.518±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.371 · 1.371±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.352 · -2.352±0.20(predicted)
Related reactions
0 records
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Compound notes
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