Basic information
- CAS
190-07-8- Standard SMILES
c1ccc2c(c1)ccc1nc3c(cc4ccc5cccc6ccc3c4c56)cc12- InChIKey
PMWBXWGVEXJWEF-UHFFFAOYSA-N- Molecular formula
- C27H15N
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.12044948
Names & identifiers
- Preferred name
- Benzo[a]phenaleno[1,9-hi]acridine
- IUPAC
- 3-azaheptacyclo[18.6.2.02,15.04,13.07,12.017,27.024,28]octacosa-1(27),2,4(13),5,7,9,11,14,16,18,20(28),21,23,25-tetradecaene
- English name
- Benzo[a]phenaleno[1,9-hi]acridine
- Molecular formula
- C27H15N
- Molecular weight
- 353.4147
Names & synonyms
benzo[a]phenaleno[1,9-hi]acridine190-07-8Benzo(a)phenaleno(1,9-hi)acridineBRN 1436199Benzo(c)phenaleno(1,9-i,j)acridineDTXSID101724443-azaheptacyclo[18.6.2.02,15.04,13.07,12.017,27.024,28]octacosa-1(27),2,4(13),5,7,9,11,14,16,18,20(28),21,23,25-tetradecaene
Database identifiers
- CAS
190-07-8- PubChem CID
- 67445
- DTXSID
DTXSID10172444- Nikkaji
- J36.037F
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 599
Physicochemical properties
- Boiling point
- 476.83 °C · 476.83°C (rough estimate)
- Density
- 1.2527 · 1.2527 (rough estimate)
- refractive index
- 1.947 · 1.9470 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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