2,12-Dibromo-5,6,8,9-tetrahydrodibenz[c,h]acridine
Basic information
- CAS
908072-83-3- Standard SMILES
Brc1ccc2c(c1)-c1nc3c(cc1CC2)CCc1ccc(Br)cc1-3- InChIKey
IXYGKUPFKSIHOL-UHFFFAOYSA-N- Molecular formula
- C21H15Br2N
- Average molar mass
- 441.2 g/mol
- Monoisotopic mass
- 438.95712
Names & identifiers
- Preferred name
- 2,12-Dibromo-5,6,8,9-tetrahydrodibenz[c,h]acridine
- IUPAC
- 6,20-dibromo-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene
Names & synonyms
NSC7005312,12-Dibromo-5,6,8,9-tetrahydrodibenz[c,h]acridineCHEMBL1973765DTXSID401230131NSC-700531908072-83-3NCI60_0361422,12-Dibromo-5,6,8,9-tetrahydrodibenzo[c,h]acridine
Database identifiers
- CAS
908072-83-3- PubChem CID
- 395732
- DTXSID
DTXSID401230131- ChEMBL
CHEMBL1973765
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 429
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Compound notes
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