Chemical Properties of 3H-naphth[1,2-d]imidazole, 3-(p-nitroanilino)-2-(p-nitrophenyl)- (CAS 116401-68-4)

3H-naphth[1,2-d]imidazole, 3-(p-nitroanilino)-2-(p-nitrophenyl)-

InChI
InChI=1S/C23H15N5O4/c29-27(30)18-10-5-16(6-11-18)23-24-22-20-4-2-1-3-15(20)7-14-21(22)26(23)25-17-8-12-19(13-9-17)28(31)32/h1-14,25H
InChI Key
OQCLRORBVFXCLH-UHFFFAOYSA-N
Formula
C23H15N5O4
SMILES
O=[N+]([O-])c1ccc(Nn2c(-c3ccc([N+](=O)[O-])cc3)nc3c4ccccc4ccc32)cc1
Molecular Weight1
425.40
CAS
116401-68-4
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Physical Properties

Property Value Unit Source
ω 1.0370 Relay (1.0) Calculated Property
ΔfG° 686.32 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 477.68 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 174.21 kJ/mol Relay (1.0) Calculated Property
IE 7.52 eV Relay (1.0) Calculated Property
log10WS -6.26 Relay (1.0) Calculated Property
logPoct/wat 5.548 Crippen Calculated Property
McVol 293.810 ml/mol McGowan Calculated Property
Pc 3324.99 kPa Relay (1.0-beta) Calculated Property
Tboil 825.93 K Relay (1.0) Calculated Property
Tc 1335.45 K Relay (1.0) Calculated Property
Tfus 549.07 K Relay (1.0) Calculated Property
Vc 1.048 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

3H-naphth[1,2-d]imidazole, 3-(p-anisidino)-2-(p-methoxyphenyl)-. 1H-naphth[1,2-d]imidazole, 1-(p-bromoanilino)-2-(p-nitrophenyl)-. 1H-naphth[1,2-d]imidazole, 1-(p-anisidino)-2-(p-methoxyphenyl)-. 1H-naphth[1,2-d]imidazole, 1-(p-anisidino)-2-phenyl-. Carteolol, PFB-TMS. 2'-Deoxyguanosine, tris(trimethylsilyl) deriv.. Cytosine arabinoside, dimethyl-allyldimethylsilyl derivative. Riboflavin, 2',3',4',5'-tetrapropanoate. Thymidine, 3'-O-acetyl, 5'-O-cyclotetramethylene-isopropylsilyl. Normorphine TMS. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine. Codeine-propionyl. Ajmaline.

Find more compounds similar to 3H-naphth[1,2-d]imidazole, 3-(p-nitroanilino)-2-(p-nitrophenyl)-.

Sources

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