2,2'-{1,3-Phenylenebis[2,1-Ethynediyl(5-Bromo-3,1-Phenylene)]}Diethanamine

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Properties Simple | Detailed

Formula C26H22Br2N2
IUPAC Name 2-[3-[2-[3-[2-[3-(2-aminoethyl)-5-bromo-phenyl]ethynyl]phenyl]ethynyl]-5-bromo-phenyl]ethanamine
Molecular Mass 522.274 g·mol−1
Heat of Formation 728.4 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 537.12 Å 3
Surface Area 498.22 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 0.86 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3-[2-[3-[2-[3-(2-aminoethyl)-5-bromo-phenyl]ethynyl]phenyl]ethynyl]-5-bromo-phenyl]ethylamine
  • 2-[3-[2-[3-[2-[3-(2-aminoethyl)-5-bromophenyl]ethynyl]phenyl]ethynyl]-5-bromophenyl]ethanamine
InChIKey JSVQCKAPBSOZCB-UHFFFAOYSA-N
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Elements H C Br N