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Amanthrene Green JF
CAS: 128-58-5 | C36H20O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
128-58-5
Molecular Formula:
C36H20O4
Molecular Weight:
516.5520000000002 g/mol
Names and Synonyms:
Amanthrene Green JF
Vat Green 1
Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, 16,17-dimethoxy-
Violanthrone, 16,17-dimethoxy-
Caledon Jade Green XN
16,17-Dimethoxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione
C.I. 59825
Ahcovat Jade Green B
Ahcovat Jade Green BDA
Ahcovat Printing Jade Green B
Ahcovat Printing Jade Green BDA
Amanthrene Brilliant Green J
Amanthrene Brilliant Green JP
Amanthrene Supra Green JF
Atic Vat Jade Green XBN
Atic Vat Printing Jade Green XBN
Belanthrene Jade Green
Benzadone Jade Green B
Benzadone Jade Green X
Benzadone Jade Green XBN
Benzadone Jade Green XN
Brilliant Green S
Calcoloid Jade Green N
Calcoloid Jade Green NC
Calcoloid Jade Green NP
Caledon Jade Green XBN
Caledon Printing Jade Green XBN
Caledon Printing Jade Green XN
Carbanthrene Brilliant Green
Carbanthrene Brilliant Green G
Cibanone Brilliant Green 2BF
Cibanone Brilliant Green FBF
C.I. Vat Green 1
Fenanthren Brilliant Green B
Helanthrene Green B
Indanthren Brilliant Green B
Indanthren Brilliant Green FFB
Indanthren Brilliant Green FFB extra pure
Indanthrene Brilliant Green B
Indanthrene Brilliant Green BN
Indanthrene Brilliant Green FFB
Jade Green base
Mayvat Jade Green
Mikethrene Brilliant Green B
Mikethrene Brilliant Green FFB
Navinon Jade Green B
Navinon Jade Green FFB
Nihonthrene Brilliant Green B
Nihonthrene Brilliant Green FFB
Nyanthrene Brilliant Green B
Ostanthren Brilliant Green FFB
Ostanthren Green FFB
Palanthrene Jade Green
Palanthrene Jade Green Supra
Paradone Jade Green B
Paradone Jade Green BX
Paradone Jade Green B New
Paradone Jade Green XS
Pernithrene Brilliant Green FFB
Pernithrene Brilliant Green GG
Romantrene Brilliant Green FB
Romantrene Brilliant Green FFB
Sandothrene Brilliant Green NBF
Solanthrene Brilliant Green B
Solanthrene Brilliant Green BN
Solanthrene Brilliant Green FF
Tinon Brilliant Green B2F-F
Tinon Brilliant Green 2BF
Tinon Brilliant Green BF
Tinon Brilliant Green BFP
Tyrian Brilliant Green I-B
Tyrian Brilliant Green I-FFB
Caledon Jade Green
Vat Brilliant Green S
16,17-Dimethoxyviolanthrone
Dimethoxyviolanthrone
Indanthren Brilliant Green FB
Brilliant Green Anthraquinone S
Vat Brilliant Green S4
Novatic Jade Green XBN
Ponsol Jade Green
Mikethrene Green FFB
16,17-Dimethoxydinaphtho[1,2,3-cd:3′,2′-1′-lm]perylene-5,10-dione
Vat Brilliant Green SD
Mikethrene Brilliant Green FFB Superfine
Solanthrene Green XBN
Palanthrene Brilliant Green FFB
Indanthren Green FFB
Indanthrene Green FFB
Vat Green 1
C.I. Pigment Green 47
Pigment Green 47
Reduced Green FFB
Vat Brilliant Green SP
Vat Brilliant Green FFB
Jade Green XBN
Cibanone Green BF
Navinon Green FFB
Indanthren Brilliant Green HFFB
Vat Green FFB
Identifiers:
SMILES:
COc1cc2c3c(ccc4c5ccc6c7c(cc(OC)c(c1c34)c75)-c1ccccc1C6=O)C(=O)c1ccccc1-2
InChI:
InChI=1S/C36H20O4/c1-39-27-15-25-17-7-3-5-9-21(17)35(37)23-13-11-19-20-12-14-24-30-26(18-8-4-6-10-22(18)36(24)38)16-28(40-2)34(32(20)30)33(27)31(19)29(23)25/h3-16H,1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 516.5520000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 516.13615912 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 40 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 7 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 52.6 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 8.177200000000004 | RDKit |
| molecular_mass | 516.55 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Vat_Green_1 None | Legacy Database |
| cas-canonical-smile | O=C1C=2C=CC=CC2C=3C=C(OC)C=4C5=C(OC)C=C6C=7C=CC=CC7C(=O)C=8C=CC(C9=CC=C1C3C94)=C5C86 None | Legacy Database |
| cas-inchi | InChI=1S/C36H20O4/c1-39-27-15-25-17-7-3-5-9-21(17)35(37)23-13-11-19-20-12-14-24-30-26(18-8-4-6-10-22(18)36(24)38)16-28(40-2)34(32(20)30)33(27)31(19)29(23)25/h3-16H,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=JXUKQCUPTNLTCS-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 16,17-Dimethoxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione None | Legacy Database |
| wikipedia-name | Vat Green 1 None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 158.49299999999977 | RDKit |
