2-{(E)-[(5Z)-3-Methoxy-5-(2H-Pyrrol-2-Ylidene)-1,5-Dihydro-2H-Pyrrol-2-Ylidene]Methyl}-5-Undecyl-1H-Pyrrole

Molecule SVG Image

Properties Simple | Detailed

Formula C25H35N3O
IUPAC Name (2e,5z)-3-methoxy-5-pyrrol-2-ylidene-2-[(5-undecylpyrrol-1-ium-5-ylium-2-yl)methylene]pyrrole
Molecular Mass 393.565 g·mol−1
Heat of Formation 93.5 ± 16.7 kJ·mol−1
Dipole Moment 6.48 ± 1.08 D
Volume 530.04 Å 3
Surface Area 463.22 Å 2
HOMO Energy -7.87 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,5z)-3-methoxy-5-(2-pyrrolylidene)-2-[(5-undecyl-1h-pyrrol-2-yl)methylene]pyrrole
  • (2e,5z)-3-methoxy-5-pyrrol-2-ylidene-2-[(5-undecyl-1h-pyrrol-2-yl)methylene]-3-pyrroline
  • (2e,5z)-3-methoxy-5-pyrrol-2-ylidene-2-[(5-undecyl-1h-pyrrol-2-yl)methylene]pyrrole
  • (2e,5z)-3-methoxy-5-pyrrol-2-ylidene-2-[(5-undecyl-1h-pyrrol-2-yl)methylidene]pyrrole
  • 2-((3-methoxy-5-(1h-pyrrol-2-yl)-2h-pyrrol-2-ylidene)methyl)-5-undecyl-1h-pyrrole
  • undecylprodigiosin
CAS Number(s)
  • 52340-48-4
InChIKey ISFCPXILUVJVOC-PSNBQBPLSA-N
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