chempirical

2'-Bromo-2,7-di-tert-butyl-9,9'-spirobi[fluorene]

C33H31BrCAS 393841-81-1507.52 g/mol

Open in Covalent MOL file
Br
Aryl halide

Properties

Molecular formula
C33H31Br
Molar mass
507.52 g/mol
Exact mass
506.1609 Da
logP
9.39Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
393841-81-1
SMILES
CC(C)(C)C1=CC2=C(C=C1)C3=C(C24C5=CC=CC=C5C6=C4C=C(C=C6)Br)C=C(C=C3)C(C)(C)C
InChIKey
BBKNCZFSPQICQT-UHFFFAOYSA-N
InChI
InChI=1S/C33H31Br/c1-31(2,3)20-11-14-24-25-15-12-21(32(4,5)6)18-29(25)33(28(24)17-20)27-10-8-7-9-23(27)26-16-13-22(34)19-30(26)33/h7-19H,1-6H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2'-Bromo-2,7-di-tert-butyl-9,9'-spirobi[fluorene]

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Bromo-9,9′-spirobi[9H-fluorene]171408-76-773 % similar 2,7-Dibromo-9,9'-spiro-bifluorene171408-84-773 % similar 2,2'-Dibromo-9,9'-spirobifluorene67665-47-873 % similar 2-Bromo-9,9-diphenyl-9H-fluorene474918-32-665 % similar 2-Bromospiro[fluorene-9,9'-xanthene]899422-06-160 % similar 2-Bromo-9,9-dimethylfluorene28320-31-258 % similar 2,2',7,7'-Tetrabromo-9,9'-spirobi[9H-fluorene]128055-74-358 % similar 2,7-Dibromo-9,9-diphenylfluororene186259-63-257 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook