4-[3-(3-{[Bis(4-Isobutylphenyl)Methyl]Amino}Benzoyl)-1H-Indol-1-Yl]Butanoic Acid

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Properties Simple | Detailed

Formula C35H26N2O3
IUPAC Name 3-[4-[4-[[3,10-bis(2-methylenecyclopropylidene)dispiro[5.0.57.16]trideca-1,4,8,11-tetraen-13-ylidene]amino]pent-4-en-2-ynoyl]-2,3-dimethyl-pyrrol-1-yl]prop-2-ynoate
Molecular Mass 522.593 g·mol−1
Heat of Formation 6134.5 ± 16.7 kJ·mol−1
Dipole Moment 7.65 ± 1.08 D
Volume 626.0 Å 3
Surface Area 519.86 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -2.23 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[3-[3-[bis(4-isobutylphenyl)methylamino]benzoyl]indol-1-yl]butanoic acid
  • 4-[3-[3-[bis(4-isobutylphenyl)methylamino]benzoyl]indol-1-yl]butyric acid
  • 4-[3-[3-[bis[4-(2-methylpropyl)phenyl]methylamino]benzoyl]indol-1-yl]butanoic acid
  • 4-[3-[3-[bis[4-(2-methylpropyl)phenyl]methylamino]phenyl]carbonylindol-1-yl]butanoic acid
  • 4-[3-[[3-[bis(4-isobutylphenyl)methylamino]phenyl]-oxomethyl]-1-indolyl]butanoic acid
  • fk-143
CAS Number(s)
  • 163136-03-6
InChIKey LACIBZRFAYFTOV-UHFFFAOYSA-N
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