Chemical Properties of Tetra(3-pyridyl)porphyrin (CAS 40882-83-5)

Tetra(3-pyridyl)porphyrin

InChI
InChI=1S/C40H26N8/c1-5-25(21-41-17-1)37-29-9-11-31(45-29)38(26-6-2-18-42-22-26)33-13-15-35(47-33)40(28-8-4-20-44-24-28)36-16-14-34(48-36)39(27-7-3-19-43-23-27)32-12-10-30(37)46-32/h1-24,45,48H/b37-29-,37-30-,38-31-,38-33-,39-32-,39-34-,40-35-,40-36-
InChI Key
GZKPUYJFADMBGO-KHQKEXQOSA-N
Formula
C40H26N8
SMILES
C1=Cc2nc1c(-c1cccnc1)c1ccc([nH]1)c(-c1cccnc1)c1nc(c(-c3cccnc3)c3ccc([nH]3)c2-c2cccnc2)C=C1
Molecular Weight1
618.69
CAS
40882-83-5
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Physical Properties

Property Value Unit Source
ΔcH°solid -20268.00 ± 6.80 kJ/mol NIST
ΔfH°solid 811.80 ± 8.60 kJ/mol NIST
ΔsubH° 270.40 kJ/mol NIST
ΔvapH° 266.16 kJ/mol Relay (1.0) Calculated Property
IE 7.20 eV Relay (1.0) Calculated Property
logPoct/wat 7.940 Crippen Calculated Property
McVol 457.660 ml/mol McGowan Calculated Property
Tboil 1030.21 K Relay (1.0) Calculated Property
Tfus 758.16 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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

Tetraphenylporphyrin. Tetra(p-bromophenyl)porphyrin. 21H,23H-Porphin,5,10,15,20-tetrakis(4-methylphenyl)-. Tetra(p-nitrophenyl)porphyrin. 5,10,15,20-Tetra(2-aminophenyl)-21H,23H-porphine. cefuroxime acid. risperidone. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Zinc octaethylporphyrin chloride. MIRTAZAPINE. acetylepibaptifoline. Prajmaline. DIHYDROERGOTAMINE. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form).

Find more compounds similar to Tetra(3-pyridyl)porphyrin.

Sources

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