Benzoic acid, 4-(dimethylamino)-, 2,3-dihydro-2,3-fluoranthenediyl ester, (2R-trans)-
Basic information
- CAS
143289-11-6- Standard SMILES
CN(C)c1ccc(C(=O)OC2C=C3c4ccccc4-c4cccc(c43)C2OC(=O)c2ccc(N(C)C)cc2)cc1- InChIKey
MULLWWLECXVJIQ-UHFFFAOYSA-N- Molecular formula
- C34H30N2O4
- Average molar mass
- 530.6 g/mol
- Monoisotopic mass
- 530.22055744
Names & identifiers
- Preferred name
- Benzoic acid, 4-(dimethylamino)-, 2,3-dihydro-2,3-fluoranthenediyl ester, (2R-trans)-
- IUPAC
- [3-[4-(dimethylamino)benzoyl]oxy-2,3-dihydrofluoranthen-2-yl] 4-(dimethylamino)benzoate
Names & synonyms
143289-11-6Benzoic acid, 4-(dimethylamino)-, 2,3-dihydro-2,3-fluoranthenediyl ester, (2R-trans)-DTXSID60931801(2R-trans)-2,3-Dihydro-2,3-fluoranthenediyl 4-(dimethylamino)benzoate2,3-Dihydrofluoranthene-2,3-diyl bis[4-(dimethylamino)benzoate]
Database identifiers
- CAS
143289-11-6- PubChem CID
- 178705
- DTXSID
DTXSID60931801
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 946
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