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5,10,15,20-Tetraphenylporphine

View entire compound with spectra: 1 NMR, and 1 FTIR

5,10,15,20-Tetraphenylporphine
SpectraBase Compound ID CeA3sxeFmuT
InChI InChI=1S/C44H28N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-28H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKey ASQZPNGAQXZRMQ-LWQDQPMZSA-N
Mol Weight 612.7 g/mol
Molecular Formula C44H28N4
Exact Mass 612.231397 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DupD4kAPZYY
Name 5,10,15,20-Tetraphenylporphine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 612.231396918 u
Formula C44H28N4
InChI InChI=1S/C44H28N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-28H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKey ASQZPNGAQXZRMQ-LWQDQPMZSA-N
Molecular Weight 612.736 g/mol
SMILES C1=CC2=NC1=C(C1=NC(C=C1)=C(C=1C=CC(N1)=C(C1=NC(C=C1)=C2C=1C=CC=CC1)C=1C=CC=CC1)C=1C=CC=CC1)C=1C=CC=CC1