Basic information
- CAS
51787-42-9- Standard SMILES
Cc1cc(C)c2nc3c(ccc4ccccc43)c(C)c2c1- InChIKey
ZEQJEFOPTOCNRF-UHFFFAOYSA-N- Molecular formula
- C20H17N
- Average molar mass
- 271.4 g/mol
- Monoisotopic mass
- 271.13609955
Names & identifiers
- Preferred name
- BENZ(c)ACRIDINE, 7,9,11-TRIMETHYL-
- IUPAC
- 7,9,11-trimethylbenzo[c]acridine
- English name
- 7,9,11-Trimethylbenz[c]acridine
- Molecular formula
- C20H17N
- Molecular weight
- 271.36
Names & synonyms
7,9,11-Trimethylbenz[c]acridine51787-42-9BENZ(c)ACRIDINE, 7,9,11-TRIMETHYL-7,9,11-Trimethylbenz(c)acridine0KWU69N3DSCCRIS 77267,9,11-trimethylbenzo[c]acridine1,3,10-Trimethyl-7,8-benzacridineUNII-0KWU69N3DSBRN 02172041,3,10-Trimethyl-7,8-benzacridine [French]DTXSID20199708
Show more names
Benz[c]acridine, 7,9,11-trimethyl-
7,9,11-trimethyl-benz(c)acridineDB-3072465,7,9-TRIMETHYL-3,4-BENZOACRIDINEQ27236916
Database identifiers
- CAS
51787-42-9- PubChem CID
- 40128
- DTXSID
DTXSID20199708- UNII
- 0KWU69N3DS
- Nikkaji
- J57.887H
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 378
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 404.44 °C · 404.44°C (rough estimate)
- Density
- 0.969 · 0.9690 (rough estimate)
- refractive index
- 1.72 · 1.7200 (estimate)
- FDA UNII
- 0 KWU69N3DS · 0KWU69N3DS
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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