9,9-Dioctyl-2,7-dibromofluorene

C₂₉H₄₀Br₂CAS 198964-46-4548.45 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₉H₄₀Br₂
Molar mass: 548.45 g/mol
Exact mass: 546.1497 Da
logP: 10.98Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 14

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

198964-46-4

SMILES

CCCCCCCCC1(C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br)CCCCCCCC

InChIKey

CYKLQIOPIMZZBZ-UHFFFAOYSA-N

InChI

InChI=1S/C29H40Br2/c1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29/h15-18,21-22H,3-14,19-20H2,1-2H3

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Names and synonyms

1 names

2,7-Dibromo-9,9-di-n-octylfluorene

Work with 9,9-Dioctyl-2,7-dibromofluorene

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

2,7-Dibromo-9,9-didecylfluorene175922-78-8100 % similar 9,9-Dihexyl-2,7-dibromofluorene189367-54-2100 % similar 2-Bromo-9,9-dihexyl fluorene226070-05-986 % similar 2-Bromo-9,9-di-n-octylfluorene302554-80-986 % similar 2-Bromo-9,9-di-N-butylfluoren88223-35-276 % similar (2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluorene)196207-58-653 % similar 2-Bromo-9,9-diethylfluorene287493-15-653 % similar 9,9-Dihexyl-9H-fluoren-2-boronic acid371193-08-752 % similar

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

Elsewhere

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