Chemical Properties of Tetra(p-nitrophenyl)porphyrin (CAS 22843-73-8)

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
794.73
CAS
22843-73-8
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Physical Properties

Property Value Unit Source
ω 1.5932 Relay (1.0) Calculated Property
ΔcH°solid -21781.40 ± 9.50 kJ/mol NIST
ΔfG° 1136.16 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 890.96 kJ/mol Relay (1.0) Calculated Property
ΔfH°solid 751.00 ± 11.00 kJ/mol NIST
ΔsubH° 312.44 kJ/mol NIST
ΔvapH° 308.75 kJ/mol Relay (1.0) Calculated Property
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
Pc 265.16 kPa Relay (1.0-beta) Calculated Property
Tboil 1105.27 K Relay (1.0) Calculated Property
Tc 1876.62 K Relay (1.0) Calculated Property
Tfus 808.33 K Relay (1.0) Calculated Property
Vc 1.866 m3/kmol Relay (1.0) Calculated Property

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. Baptifoline. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Epibaptifoline. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. Argentamin. 11-Allylcytisine. Methyl-12-cytisine acetate. Rotenone. Mirtazapine. Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-6-nitro-.

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

Sources

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