5-({2-[Bis(2-Pyridinylmethyl)Amino]Ethyl}Amino)-2-(6-Hydroxy-3-Oxo-3H-Xanthen-9-Yl)Benzoic Acid

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Properties Simple | Detailed

Formula C34H28N4O5
IUPAC Name 5-[2-[bis(2-pyridylmethyl)amino]ethylamino]-2-(3-hydroxy-6-oxo-2,4-dihydro-1h-xanthene-1,2,3,4,4a,8a,9,9a-octaid-9-yl)benzoic acid
Molecular Mass 572.610 g·mol−1
Heat of Formation -146.2 ± 16.7 kJ·mol−1
Dipole Moment 11.68 ± 1.08 D
Volume 673.54 Å 3
Surface Area 562.41 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[2-(bis(2-pyridylmethyl)amino)ethylamino]-2-(3-hydroxy-6-keto-xanthen-9-yl)benzoic acid
  • 5-[2-(bis(2-pyridylmethyl)amino)ethylamino]-2-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid
  • 5-[2-(bis(2-pyridylmethyl)amino)ethylamino]-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid
  • 5-[2-(bis(pyridin-2-ylmethyl)amino)ethylamino]-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid
  • 5-[2-(bis(pyridin-2-ylmethyl)amino)ethylamino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
  • 5-{2-[bis(2-pyridylmethyl)amino]ethylamino}fluorescein
  • znaf-1
InChIKey SAVLVCGHDLKAAF-UHFFFAOYSA-N
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