5-[(Z)-[(5Z)-5-[[5-[(E)-(3,4-Diethyl-5-Oxo-Pyrrol-2-Ylidene)Methyl]-3,4-Diethyl-1H-Pyrrol-2-Yl]Methylene]-3,4-Diethyl-Pyrrol-2-Ylidene]Methyl]-3,4-Diethyl-Pyrrol-2-One

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Properties Simple | Detailed

Formula C35H46N4O2
IUPAC Name 5-[(e)-[(5e)-5-[[5-[(z)-(3,4-diethyl-5-oxo-pyrrol-2-ylidene)methyl]-3,4-diethyl-pyrrol-1-ium-2-ylium-2-yl]methylene]-3,4-diethyl-pyrrol-2-ylidene]methyl]-3,4-diethyl-pyrrol-2-one
Molecular Mass 554.765 g·mol−1
Heat of Formation -96.1 ± 16.7 kJ·mol−1
Dipole Moment 6.68 ± 1.08 D
Volume 743.68 Å 3
Surface Area 578.63 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
InChIKey HJOKUVLHZRTUQI-MFIYXAPVSA-N
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