1,1'-(3,3'-Dimethoxy-4,4'-Biphenyldiyl)Bis(3,5-Diphenyl-2,3-Dihydro-1H-Tetrazole)

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Properties Simple | Detailed

Formula C29H30N8O2
IUPAC Name 7-[5-(1-ethynylprop-2-ynyl)-5h-tetrazol-1-ium-1-yl]-4-(2-hydroxyethynyl)-3-[(z)-3-(5-sec-butyl-2h-tetrazol-4-ium-4-yl)prop-1-enyl]hept-1-en-5-yn-1-one; prop-1-yne
Molecular Mass 522.601 g·mol−1
Heat of Formation 4847.4 ± 16.7 kJ·mol−1
Dipole Moment 31.70 ± 1.08 D
Volume 485.26 Å 3
Surface Area 413.26 Å 2
HOMO Energy -7.64 ± 0.55 eV
LUMO Energy -3.66 ± eV
Point Group Symmetry C1
Synonyms
  • 1,1'-(3,3'-dimethoxy-4,4'-biphenylylene)bis(3,5-diphenylformazane)
  • 1-[4-[4-[3,5-di(phenyl)-2h-1,2,3,4-tetrazol-1-yl]-3-methoxy-phenyl]-2-methoxy-phenyl]-3,5-di(phenyl)-2h-1,2,3,4-tetrazole
  • 1-[4-[4-[3,5-di(phenyl)-2h-tetrazol-1-yl]-3-methoxy-phenyl]-2-methoxy-phenyl]-3,5-di(phenyl)-2h-tetrazole
  • 1-[4-[4-[3,5-di(phenyl)-2h-tetrazol-1-yl]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-di(phenyl)-2h-tetrazole
CAS Number(s)
  • 23305-71-7
InChIKey HPQZHRVFWDLPEY-UHFFFAOYSA-N
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