10H-Spiro[acridine-9,9'-fluorene]
Properties
- Molecular formula
- C25H17N
- Molar mass
- 331.42 g/mol
- Exact mass
- 331.1361 Da
- logP
- 6.11Crippen estimate
- Polar surface area
- 12.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
92638-81-8SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=CC=CC=C5NC6=CC=CC=C46InChIKey
GFOZRCASAHKFFT-UHFFFAOYSA-NInChI
InChI=1S/C25H17N/c1-3-11-19-17(9-1)18-10-2-4-12-20(18)25(19)21-13-5-7-15-23(21)26-24-16-8-6-14-22(24)25/h1-16,26HCharacterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.65 (dd, J = 7.7, 1.6 Hz, 2H), 7.58 (dd, J = 7.7, 1.6 Hz, 2H), 7.38 (m, J = 7.7, 1.6 Hz, 2H), 7.35 (m, J = 7.7, 1.6 Hz, 2H), 7.33 (dd, J = 7.7, 1.6 Hz, 2H), 7.10 (td, J = 7.7, 1.6 Hz, 2H), 6.98 (dd, J = 7.7, 1.6 Hz, 2H), 6.93 (td, J = 7.7, 1.6 Hz, 2H), 3.60 (br s, 1H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 149.4, 139.8, 139.6, 138.0, 127.0, 126.9, 126.1, 125.8, 125.8, 125.5, 120.5, 117.3, 66.9.[M + H]+
[M + H]+ Calcd for C25H18N 332.1434[M + Na]+
[M + Na]+ Calcd for C25H17NNa 354.1253[M − H]−
[M − H]− Calcd for C25H16N 330.1288Elemental analysis
Anal. Calcd for C25H17N: C, 90.60; H, 5.17; N, 4.23.Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 10H-Spiro[acridine-9,9'-fluorene]
Similar compounds
9,9'-Spirobi(9H-fluorene)159-66-067 % similar
9,9-Diphenyl-9,10-dihydroacridine20474-15-162 % similar
9,9-Dimethyl-9,10-dihydroacridine6267-02-352 % similar
9,9-Diphenylfluorene20302-14-150 % similar
5,10-Dihydro-phenazine613-32-145 % similar
4-Bromo-9,9′-spirobi[9H-fluorene]1161009-88-645 % similar
2-Bromo-9,9′-spirobi[9H-fluorene]171408-76-745 % similar
2,7-Dibromo-9,9'-spiro-bifluorene171408-84-745 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.