Chemical Properties of 3-Anilino-1,4-diphenyl-5-phenylimino-1,2,4-triazoline (CAS 5416-43-3)

3-Anilino-1,4-diphenyl-5-phenylimino-1,2,4-triazoline

InChI
InChI=1S/C26H21N5/c1-5-13-21(14-6-1)27-25-29-31(24-19-11-4-12-20-24)26(28-22-15-7-2-8-16-22)30(25)23-17-9-3-10-18-23/h1-20H,(H,27,29)/b28-26+
InChI Key
STYFIGFBSHZRBK-BYCLXTJYSA-N
Formula
C26H21N5
SMILES
c1ccc(N=c2n(-c3ccccc3)nc(Nc3ccccc3)n2-c2ccccc2)cc1
Molecular Weight1
403.48
CAS
5416-43-3
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Physical Properties

Property Value Unit Source
ω 0.8433 Relay (1.0) Calculated Property
ΔfG° 821.24 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 728.11 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 148.95 kJ/mol Relay (1.0) Calculated Property
IE 6.75 eV Relay (1.0) Calculated Property
log10WS -6.63 Relay (1.0) Calculated Property
logPoct/wat 5.639 Crippen Calculated Property
McVol 312.600 ml/mol McGowan Calculated Property
Pc 4063.09 kPa Relay (1.0-beta) Calculated Property
Tboil 781.28 K Relay (1.0) Calculated Property
Tc 1257.83 K Relay (1.0) Calculated Property
Tfus 461.78 K Relay (1.0) Calculated Property
Vc 1.143 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

risperidone. Ibogaine. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Yohimbine. Uridine, 2'-O-acetyl, 3',5'-bis-O-TBDMS. Uridine, 2'-O-TBDMS, 3'-O-acetyl, 5'-O-TBDMS. Uridine, 2'-O-TBDMS, 3',5'-bis-O-acetyl. Uridine, 2',3'-bis-O-acetyl, 5'-O-TBDMS. Phenindamine M (nor, OH), acetylated. ethylmorphine, propionic ester. uridine-2'(3')-monophosphate, TMS. Ergocristine. Codeine-propionyl. Ajmaline. Galantamin.

Find more compounds similar to 3-Anilino-1,4-diphenyl-5-phenylimino-1,2,4-triazoline.

Sources

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