chempirical

2,7-Dibromo-9,9'-spiro-bifluorene

C25H14Br2CAS 171408-84-7474.20 g/mol

Open in Covalent MOL file
BrBr
Aryl halide

Properties

Molecular formula
C25H14Br2
Molar mass
474.20 g/mol
Exact mass
471.9462 Da
logP
7.56Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
171408-84-7
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=C(C=CC(=C5)Br)C6=C4C=C(C=C6)Br
InChIKey
UPJLZKCEPFAKSH-UHFFFAOYSA-N
InChI
InChI=1S/C25H14Br2/c26-15-9-11-19-20-12-10-16(27)14-24(20)25(23(19)13-15)21-7-3-1-5-17(21)18-6-2-4-8-22(18)25/h1-14H

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Names and synonyms

1 names
  • 2,7-Dibromo-9,9'-spirobi[9H-fluorene]

Work with 2,7-Dibromo-9,9'-spiro-bifluorene

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]171408-76-7100 % similar 2-Bromo-9,9-diphenyl-9H-fluorene474918-32-679 % similar 2,2',7,7'-Tetrabromo-9,9'-spirobi[9H-fluorene]128055-74-379 % similar 2-Bromospiro[fluorene-9,9'-xanthene]899422-06-177 % similar 2'-Bromo-2,7-di-tert-butyl-9,9'-spirobi[fluorene]393841-81-173 % similar 2,7-Bibromospiro[fluorene-9,9'-xanthene]198142-65-371 % similar 2,7-Dibromo-9,9-diphenylfluororene186259-63-269 % similar 2'-Bromo-spiro[9H-fluorene-9,9'-[9H]xanthene]1477458-14-267 % similar

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

Same formula

2,2'-Dibromo-9,9'-spirobifluorene67665-47-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook