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),... | Chemical Details

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
Cite this record		Copied

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

Property

Value

Unit

Accuracy

Absolute Entropy of Ideal Gas at 298.15K and 1bar	-	-	-
Acentric Factor	-	-	-
Critical Compressibility Factor	-	-	-
Critical Pressure	-	-	-
Critical Temperature	-	-	-
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	-	-	-

1. Parity plot representing estimated values (x-axes) against the experimental values (y-axes) with the y=x line as a reference. If the estimated and experimental values agree, they should lie close to the y=x line. Upper and lower bar line (I) represents the experimental error range.	2. Statistical analysis representing the degree of agreement. The middle bar shows the portion of the estimated values within the experimental error range. The percentage of the middle bar indicates the level of estimation accuracy in general.