Dimethyl 3,3'-[7-(Hydroxymethyl)-3,8,13,17-Tetramethyl-12-Vinyl-2,18-Porphyrindiyl]Dipropanoate

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Properties Simple | Detailed

Formula C35H29N4O5
IUPAC Name 3-[(1z,15z)-12-ethynyl-3,8,13,17-tetra(methyl)-18-(3-oxidoprop-2-ynyl)-7-(oxomethylene)porphyrin-14-ylium-2,3,21-triid-2-yl]prop-1-yn-1-olate; methanone
Molecular Mass 585.629 g·mol−1
Heat of Formation 4074.4 ± 16.7 kJ·mol−1
Dipole Moment 13.69 ± 1.08 D
Volume 565.42 Å 3
Surface Area 488.6 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -2.73 ± eV
Point Group Symmetry C1
InChIKey CXSNTEZIWDUQLA-NBLLDXTRSA-N
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