Back to Search
2,8-Diphenylanthra[2,1-D:6,5-D′]Bisthiazole-6,12-Dione
CAS: 129-09-9 | C28H14N2O2S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 129-09-9
- Molecular Formula
- C28H14N2O2S2
- Molecular Mass
- 474.57 g/mol
Identifiers
CAS Registry Number
129-09-9
SMILES
O=C1c2ccc3nc(-c4ccccc4)sc3c2C(=O)c2ccc3nc(-c4ccccc4)sc3c21
InChI Key
GFFQNEGBFFGLQG-UHFFFAOYSA-N
InChI
InChI=1S/C28H14N2O2S2/c31-23-18-12-14-20-26(34-28(30-20)16-9-5-2-6-10-16)22(18)24(32)17-11-13-19-25(21(17)23)33-27(29-19)15-7-3-1-4-8-15/h1-14H
Names and Synonyms
- 2,8-Diphenylanthra[2,1-D:6,5-D′]Bisthiazole-6,12-Dione Systematic Name
- Novatic Yellow 5G Synonym
- Reduced Yellow GCN Synonym
- Vat Yellow GCN Synonym
- Navinon Golden Yellow VH Synonym
- Novatic Yellow RT Synonym
- Anthra[2,1-d:6,5-d′]bisthiazole-6,12-dione, 2,8-diphenyl- Synonym
- 2,8-Diphenylanthra[2,1-d:6,5-d′]bisthiazole-6,12-dione Synonym
- C.I. 67300 Synonym
- Ahcovat Flavone GC Synonym
- Ahcovat Flavone GCN Synonym
- Ahcovat Printing Flavone GC Synonym
- Amanthrene Flavone GC Synonym
- Amanthrene Supra Flavone GCN Synonym
- Amanthrene Supra Flavone GCP Synonym
- Anthravat Flavone GC Synonym
- Anthra Yellow GC Synonym
- Anthra Yellow GCN Synonym
- Calcoloid Printing Yellow GC Synonym
- Calcoloid Yellow GCD Synonym
- Caledon Printing Yellow 5G Synonym
- Caledon Yellow 5G Synonym
- Carbanthrene Flavine GC Synonym
- Carbanthrene Printing Flavine GC Synonym
- Carbanthrene Printing Flavine GCL Synonym
- Chemithrene Yellow GC Synonym
- Cibanone Yellow GC Synonym
- 2,8-Diphenylanthraquinone-1′(S)-2′,5′(S)-6′-dithiazole Synonym
- Fenanthren Yellow GC Synonym
- Flavon GC Synonym
- Heliane Yellow J Synonym
- Hostavat Yellow GC Synonym
- Leucosol Yellow GC Synonym
- Mikethrene Yellow GCN Synonym
- Nihonthrene Yellow GCN Synonym
- Nyanthrene Yellow GCA Synonym
- Ostanthren Yellow GC Synonym
- Palanthrene Yellow GC Synonym
- Paradone Yellow GC Synonym
- Paradone Yellow GCX Synonym
- Pharmanthrene Yellow GC Synonym
- Pharmanthrene Yellow GCD Synonym
- Ponsol Flavone GC Synonym
- Ponsol Flavone GCD Synonym
- Ponsol Flavone GCN Synonym
- Ponsol Flavone GCND Synonym
- Romantrene Yellow GCN Synonym
- Sandothrene Yellow NGC Synonym
- Tinon Yellow GC Synonym
- Tinon Yellow GCP Synonym
- Tyrian Yellow A-GC Synonym
- Algol Yellow GC Synonym
- Anthra Yellow Synonym
- C.I. Vat Yellow 2 Synonym
- Algol Yellow 2BLT Synonym
- Flavone GC base Synonym
- Indanthrene Yellow GCN Synonym
- Vat Flavone GCN Synonym
- Threne Yellow GCN Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 474.57 g/mol | CAS Common Chemistry |
| 474.5660000000002 g/mol | RDKit | |
| 474.566 g/mol | RDKit | |
| 478.338 g/mol | chempirical lib | |
| Canonical SMILES | O=C1C2=CC=C3N=C(SC3=C2C(=O)C4=CC=C5N=C(SC5=C14)C=6C=CC=CC6)C=7C=CC=CC7 | CAS Common Chemistry |
| InChI | InChI=1S/C28H14N2O2S2/c31-23-18-12-14-20-26(34-28(30-20)16-9-5-2-6-10-16)22(18)24(32)17-11-13-19-25(21(17)23)33-27(29-19)15-7-3-1-4-8-15/h1-14H | CAS Common Chemistry |
| InChI Key | InChIKey=GFFQNEGBFFGLQG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,8-Diphenylanthra[2,1-d:6,5-d′]bisthiazole-6,12-dione | CAS Common Chemistry |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 59.92 Ų | RDKit |
| 58.86 Ų | chempirical lib | |
| LogP | 7.015400000000004 | RDKit |
| 7.0154 | RDKit | |
| Molar Refractivity | 136.9769999999999 cm³/mol | RDKit |
| Ring Count | 7 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 474.04966968800005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
