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Predicted properties of the compound entered.

ID AAKMSGQPNUGLAZ-UHFFFAOYSA-N
Formula C42H23N3O6
IUPAC Name N-{28-benzamido-6,13,19,26-tetraoxo-16-azaheptacyclo[15.12.0.0^{2,15}.0^{5,14}.0^{7,12}.0^{18,27}.0^{20,25}]nonacosa-1(17),2(15),3,5(14),7(12),8,10,18(27),20(25),21,23,28-dodecaen-8-yl}benzamide
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C42H23N3O6/c46-37-24-14-7-8-15-25(24)38(47)34-33(37)30(44-42(51)22-12-5-2-6-13-22)20-28-23-18-19-27-32(35(23)45-36(28)34)40(49)26-16-9-17-29(31(26)39(27)48)43-41(50)21-10-3-1-4-11-21/h1-20,45H,(H,43,50)(H,44,51)
Standard InChIKey (User Input) InChIKey=AAKMSGQPNUGLAZ-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 11098-29-6 | 131-92-0 | Ponsol Brown ARD | Ponsol Brown ARN | Romantrene Brown FR | Sandothrene Brown NR | Sandothrene Brown NRF | Solanthrene Brown FR | Solanthrene Brown R | Tinon Brown GR | Tinon Brown GRF | Tyrian Brown I-FFR | Tyrian Brown I-R | Vat Brown 3 | Vat Brown K | C.I Vat brown 3 | 4-22-00-06652 (Beilstein Handbook Reference) | 5H-Dinaphtho(2,3-a:2',3'-i)carbazole-5,10,15,17(16H)-tetrone, 4,9-dibenzamido- (7CI) | Ahcovat Brown AR | Ahcovat Brown AR-BN | Amanthrene Brown R | Atic Vat Brown R | BRN 0382039 | Benzadone Brown R | Benzamide, N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho(2,3-a:2',3'-i)carbazole-4,9-diyl)bis- | C.I. 69015 | C.I. Pigment Brown 28 | C.I. VAT BROWN 3 | CCRIS 4892 | Calcoloid Brown R | Calcoloid Brown RK | Calcoloid Brown RNB | Calcoloid Brown RNBC | Caledon Brown R | Caledon Brown R 300 | Carbanthrene Brown AR | Carbanthrene Brown ARP | Cibanone Brown FGR | Cibanone Brown GR | EINECS 205-044-6 | Fenalac Brown VRA Supra Paste | Fenanthren Brown D | Fenanthren Brown R | Indanthren Brown FFR | Indanthren Brown R | Indanthren Brown RAP | Indanthrene Brown R (6CI) | Indanthrene Brown RARWP | Indanthrene Brown RN | Indanthrene Brown RWP | Leucosol Brown 3RN | Mikethrene Brown R | N,N'-(10,15,16,17-Tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho(2,3-a:2',3'-i)carbazole-4,9-diyl)bis(benzamide) | Nihonthrene Brown R | Novatic Brown R | Nyanthrene Brown R | Palanthrene Brown R | Pernithrene Brown R
This prediction is based on QSPR only and is the first basic approximate estimation.
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
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Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
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