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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
Names and Synonyms:
2,8-Diphenylanthra[2,1-D:6,5-D′]Bisthiazole-6,12-Dione
Novatic Yellow 5G
Reduced Yellow GCN
Vat Yellow GCN
Navinon Golden Yellow VH
Novatic Yellow RT
Anthra[2,1-d:6,5-d′]bisthiazole-6,12-dione, 2,8-diphenyl-
2,8-Diphenylanthra[2,1-d:6,5-d′]bisthiazole-6,12-dione
C.I. 67300
Ahcovat Flavone GC
Ahcovat Flavone GCN
Ahcovat Printing Flavone GC
Amanthrene Flavone GC
Amanthrene Supra Flavone GCN
Amanthrene Supra Flavone GCP
Anthravat Flavone GC
Anthra Yellow GC
Anthra Yellow GCN
Calcoloid Printing Yellow GC
Calcoloid Yellow GCD
Caledon Printing Yellow 5G
Caledon Yellow 5G
Carbanthrene Flavine GC
Carbanthrene Printing Flavine GC
Carbanthrene Printing Flavine GCL
Chemithrene Yellow GC
Cibanone Yellow GC
2,8-Diphenylanthraquinone-1′(S)-2′,5′(S)-6′-dithiazole
Fenanthren Yellow GC
Flavon GC
Heliane Yellow J
Hostavat Yellow GC
Leucosol Yellow GC
Mikethrene Yellow GCN
Nihonthrene Yellow GCN
Nyanthrene Yellow GCA
Ostanthren Yellow GC
Palanthrene Yellow GC
Paradone Yellow GC
Paradone Yellow GCX
Pharmanthrene Yellow GC
Pharmanthrene Yellow GCD
Ponsol Flavone GC
Ponsol Flavone GCD
Ponsol Flavone GCN
Ponsol Flavone GCND
Romantrene Yellow GCN
Sandothrene Yellow NGC
Tinon Yellow GC
Tinon Yellow GCP
Tyrian Yellow A-GC
Algol Yellow GC
Anthra Yellow
C.I. Vat Yellow 2
Algol Yellow 2BLT
Flavone GC base
Indanthrene Yellow GCN
Vat Flavone GCN
Threne Yellow GCN
Identifiers:
SMILES:
O=C1c2ccc3nc(-c4ccccc4)sc3c2C(=O)c2ccc3nc(-c4ccccc4)sc3c21
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
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 474.57 g/mol | CAS Common Chemistry |
| 474.5660000000002 g/mol | RDKit | |
| 474.04966968800005 g/mol | RDKit | |
| 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 |
| LogP | 7.015400000000004 | RDKit |
| Molar Refractivity | 136.9769999999999 | RDKit |
