Benzo(a)phenaleno(1,9-hi)acridine, 7-methyl-
Basic information
- CAS
1492-55-3- Standard SMILES
Cc1c2cc3ccc4cccc5ccc(c2nc2ccc6ccccc6c12)c3c45- InChIKey
LFBXCJCINUUCBS-UHFFFAOYSA-N- Molecular formula
- C28H17N
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.13609955
Names & identifiers
- Preferred name
- Benzo(a)phenaleno(1,9-hi)acridine, 7-methyl-
- IUPAC
- 14-methyl-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
- 7-Methylbenzo[a]phenaleno[1,9-hi]acridine
- Molecular formula
- C28H17N
- Molecular weight
- 367.44
Names & synonyms
1492-55-3Benzo(a)phenaleno(1,9-hi)acridine, 7-methyl-7-methylbenzo[a]phenaleno[1,9-hi]acridine7-Methylbenzo(a)phenaleno(1,9-hi)acridineBRN 1437748DTXSID4016419514-methyl-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-tetradecaeneBenzo[a]phenaleno[1,9-hi]acridine, 7-methyl- (7CI,8CI,9CI)
Database identifiers
- CAS
1492-55-3- PubChem CID
- 73892
- DTXSID
DTXSID40164195- Nikkaji
- J36.039B
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 628
Physicochemical properties
- Boiling point
- 487.99 °C · 487.99°C (rough estimate)
- Density
- 1.2679 · 1.2679 (rough estimate)
- refractive index
- 1.947 · 1.9470 (estimate)
- pka
- 6.08 · 6.08±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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