1,6-Diisopropyl-3,8-dibromopyrene

C₂₂H₂₀Br₂CAS 869340-02-3444.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₂H₂₀Br₂
Molar mass: 444.21 g/mol
Exact mass: 441.9932 Da
logP: 8.36Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

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

869340-02-3

SMILES

CC(C)C1=CC(=C2C=CC3=C4C2=C1C=CC4=C(C=C3C(C)C)Br)Br

InChIKey

NNVZVNMCMRPEND-UHFFFAOYSA-N

InChI

InChI=1S/C22H20Br2/c1-11(2)17-9-19(23)15-8-6-14-18(12(3)4)10-20(24)16-7-5-13(17)21(15)22(14)16/h5-12H,1-4H3

Weigh it out

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Names and synonyms

1 names

1,6-Dibromo-3,8-diisopropylpyrene

Work with 1,6-Diisopropyl-3,8-dibromopyrene

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

1,3,6,8-Tetrabromopyrene128-63-256 % similar 1-Bromo-2-(1-methylethyl)benzene7073-94-148 % similar 1-Bromo-2,4,6-triisopropylbenzene21524-34-538 % similar 1,6-Dibromopyrene27973-29-137 % similar 1,8-Dibromopyrene38303-35-437 % similar 2-Bromo-4-isopropylaniline51605-97-136 % similar Bis(1-methylethyl)benzene25321-09-936 % similar 2,3,6,7,12,13-Hexabromotriptycene55805-81-736 % similar

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

Elsewhere

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