Chemical Properties of Tetra(p-nitrophenyl)porphyrin

Tetra(p-nitrophenyl)porphyrin

InChI
InChI=1S/C44H26N8O8/c53-49(54)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)50(55)56)37-21-23-39(47-37)44(28-7-15-32(16-8-28)52(59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)51(57)58/h1-24,45,48H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChI Key
FVHZCBQLLFLQAG-LWQDQPMZSA-N
Formula
C44H26N8O8
SMILES
O=[N+]([O-])c1ccc(-c2c3nc(c(-c4ccc([N+](=O)[O-])cc4)c4ccc([nH]4)c(-c4ccc([N+](=O)[O-])cc4)c4nc(c(-c5ccc([N+](=O)[O-])cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
Molecular Weight1
794.74
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Physical Properties

Property Value Unit Source
ΔcH°solid -21781.40 ± 9.50 kJ/mol NIST
ΔfH°solid 751.00 ± 11.00 kJ/mol NIST
ΔsubH° 312.44 kJ/mol NIST
IE 7.41 eV Relay (1.0) Calculated Property
log10WS -12.45 Relay (1.0) Calculated Property
logPoct/wat 9.993 Crippen Calculated Property
McVol 543.780 ml/mol McGowan Calculated Property
Tfus 809.18 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

5,10,15,20-Tetra(2-aminophenyl)-21H,23H-porphine. Tetraphenylporphyrin. 21H,23H-Porphin,5,10,15,20-tetrakis(4-methylphenyl)-. Tetra(p-bromophenyl)porphyrin. Tetra(3-pyridyl)porphyrin. Argentamin. cefuroxime acid. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. Baptifoline. Epibaptifoline. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. MIRTAZAPINE. 11-Allylcytisine. Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-6-nitro-. Rotenone.

Find more compounds similar to Tetra(p-nitrophenyl)porphyrin.

Sources

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