2,7-Di-tert-butylfluorene CAS NO.58775-05-6

1. Introduction of2,7-Di-tert-butylfluorene

The 2,7-Di-tert-butylfluorene, with its CAS NO58775-0…

 1. Introduction of 2,7-Di-tert-butylfluorene

 

The 2,7-Di-tert-butylfluorene, with its CAS NO 58775-05-6, is a kind of yellow powder. It has synonyms of Fluorene,2,7-di-tert-butyl- (4CI);2,7-Di-tert-butyl-9H-fluorene;2,7-Di-tert-butylfluorene;2,7-di-tert-butyl-9H-fluorene and 9H-fluorene, 2,7-bis(1,1-dimethylethyl)-. 2,7-Di-tert-butylfluorene should be stored in shady and cool warehouse.
 

2. Properties of 2,7-Di-tert-butylfluorene

 

(1) XLogP3-AA 6.9  (2) Rotatable Bond Count 2  (3) Exact Mass 278.203451
(4) MonoIsotopic Mass 278.203451  (5) Heavy Atom Count 21  (6) Complexity 331 
(7) Covalently-Bonded Unit Count 1  (8) Feature 3D Hydrophobe Count 2 (9) Feature 3D Ring Count 3
(10) Effective Rotor Count 2.2  (11) Conformer Sampling RMSD 0.6  (12) CID Conformer Count 2
 

3. Structure descriptors of 2,7-Di-tert-butylfluorene

 

IUPAC Name: 2,7-ditert-butyl-9H-fluorene

InChI: InChI=1S/C21H26/c1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,
5)6)8-10-19(15)18/h7-10,12-13H,11H2,1-6H3

InChIKey: DFZYPLLGAQIQTD-UHFFFAOYSA-N

Canonical SMILES : CC(C)(C)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)C(C)(C)C