Back to Search
Molecule
Vat Yellow 1
CAS: 475-71-8 · C28H12N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 475-71-8
- Molecular Formula
- C28H12N2O2
- Molecular Mass
- 408.42 g/mol
Identifiers
CAS Registry Number
475-71-8
SMILES
O=c1c2ccccc2c2nc3ccc4c(=O)c5ccccc5c5nc6ccc1c2c6c3c45
InChI Key
KJPJZBYFYBYKPK-UHFFFAOYSA-N
InChI
InChI=1S/C28H12N2O2/c31-27-15-7-3-1-5-13(15)25-21-17(27)9-12-20-23(21)24-19(29-25)11-10-18-22(24)26(30-20)14-6-2-4-8-16(14)28(18)32/h1-12H
Names and Synonyms
- Vat Yellow 1 Synonym
- Benzo[h]benz[5,6]acridino[2,1,9,8-klmna]acridine-8,16-dione Synonym
- Flavanthrone Synonym
- C.I. 70600 Synonym
- Caledon Paper Yellow GN Synonym
- Caledon Printing Yellow GN Synonym
- Caledon Yellow GN Synonym
- Carbanthrene Printing Yellow G Synonym
- Carbanthrene Yellow G Synonym
- Cibanone Yellow FGN Synonym
- Indanthrene Yellow G Synonym
- Indanthren Yellow GLP Synonym
- Indo Yellow Y 35 Synonym
- Mikethrene Yellow G Synonym
- Monolite Fast Yellow FR Synonym
- Palanthrene Yellow G Synonym
- Paradone Yellow G New Synonym
- Ponsol Yellow G Synonym
- Ponsol Yellow GD Synonym
- Romantrene Yellow FG Synonym
- Sandothrene NGN Synonym
- Sandothrene Yellow NG Synonym
- Solanthrene Yellow J Synonym
- Tinon Yellow GN Synonym
- Tyrian Yellow I-G Synonym
- C.I. Vat Yellow 1 Synonym
- Flavanthrene Synonym
- Indanthren Yellow G Synonym
- Indofast Yellow Toner Synonym
- Vat Yellow 1 Synonym
- C.I. Pigment Yellow 24 Synonym
- Monolite Fast Yellow FRS Synonym
- Cromophtal Yellow A 2R Synonym
- Indofast Yellow Synonym
- Paliogen Yellow 1870 Synonym
- C.I. Pigment Yellow 112 Synonym
- Flavanthrone Yellow Synonym
- Paliogen Yellow L 1870 Synonym
- Monolite Yellow FR Synonym
- Sandothrene Yellow GN Synonym
- Pigment Yellow 24 Synonym
- NSC 16091 Synonym
- NSC 39910 Synonym
- Vat Yellow G Synonym
- PY 24 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 408.42 g/mol | CAS Common Chemistry |
| 408.41600000000017 g/mol | RDKit | |
| 408.416 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Vat_Yellow_1 | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2C3=NC4=CC=C5C(=O)C6=CC=CC=C6C=7N=C8C=CC1=C3C8=C4C75 | CAS Common Chemistry |
| InChI | InChI=1S/C28H12N2O2/c31-27-15-7-3-1-5-13(15)25-21-17(27)9-12-20-23(21)24-19(29-25)11-10-18-22(24)26(30-20)14-6-2-4-8-16(14)28(18)32/h1-12H | CAS Common Chemistry |
| InChI Key | InChIKey=KJPJZBYFYBYKPK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Flavanthrone | CAS Common Chemistry |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 8 | RDKit |
| Topological Polar Surface Area | 59.92 Ų | RDKit |
| 58.86 Ų | chempirical lib | |
| LogP | 5.582800000000002 | RDKit |
| 5.5828 | RDKit | |
| Molar Refractivity | 130.672 cm³/mol | RDKit |
| Ring Count | 8 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 408.08987762400005 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.
External Resources
Convert
Quick conversion
MW = 408.42 g/mol. Edit any field — others recompute live.
