Back to Search
Molecule
Vat Green 3
CAS: 3271-76-9 · C31H15NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3271-76-9
- Molecular Formula
- C31H15NO3
- Molecular Mass
- 449.47 g/mol
Identifiers
CAS Registry Number
3271-76-9
SMILES
O=C1c2ccccc2C(=O)c2c1ccc1c2[nH]c2ccc3c4ccccc4c(=O)c4ccc1c2c43
InChI Key
HHKPGQSPFVLKMV-UHFFFAOYSA-N
InChI
InChI=1S/C31H15NO3/c33-29-19-6-2-1-5-15(19)16-13-14-24-26-17(9-11-22(29)25(16)26)18-10-12-23-27(28(18)32-24)31(35)21-8-4-3-7-20(21)30(23)34/h1-14,32H
Names and Synonyms
- Vat Green 3 Common Name
- Anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trione Synonym
- C.I. 69500 Synonym
- Ahcovat Olive Green BL-F Synonym
- Ahcovat Olive Green BL Synonym
- Ahcovat Olive Green BLD Synonym
- Ahcovat Printing Olive Green BL Synonym
- Amanthrene Olive Green B Synonym
- Amanthrene Supra Olive Green B Synonym
- Arlanthrene Olive Green B Synonym
- Atic Vat Olive Green B Synonym
- Belanthrene Olive Green B Synonym
- Benzadone Olive Green B Synonym
- Calcoloid Olive Green BDC Synonym
- Calcoloid Olive Green BD Synonym
- Calcoloid Olive Green BDL Synonym
- Calcoloid Olive Green BN Synonym
- Calcoloid Olive Green BNC Synonym
- Caledon Olive Green B Synonym
- Caledon Printing Olive Green B Synonym
- Carbanthrene Olive Green B Synonym
- Cibanone Olive 2B Synonym
- Cibanone Olive FB Synonym
- Cibanone Olive 2BD Synonym
- C.I. Vat Green 3 Synonym
- Fenanthren Olive Green B Synonym
- Helanthrene Olive Green B Synonym
- Indanthrene Olive Green B Synonym
- Indanthrene Olive Green BA Synonym
- Indanthren Olive Green B Synonym
- Mayvat Olive Green B Synonym
- Mikethrene Olive Green B Synonym
- Nihonthrene Olive Green B Synonym
- Nihonthrene Olive Green B Disperse Powder Synonym
- Nyanthrene Olive Green B Synonym
- Ostanthren Olive Green B Synonym
- Palanthrene Olive Green B Synonym
- Pernithrene Olive Green B Synonym
- Ponsol Green 2BL Synonym
- Ponsol Green 2BLD Synonym
- Romantrene Olive Green FB Synonym
- Solanthrene Dark Green J Synonym
- Tinon Olive B Synonym
- Tinon Olive BM Synonym
- Tyrian Olive Green I-B Synonym
- Vat Olive Green B Synonym
- Vat Green 3 Synonym
- Solanthrene Dark Green F-J Synonym
- C.I. 70311 Synonym
- Cibanone Olive B Synonym
- Sandothrene Olive N 2B Synonym
- Novatic Olive Green B Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 449.47 g/mol | CAS Common Chemistry |
| 449.4650000000002 g/mol | RDKit | |
| 449.465 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)C3=C1C=CC=4C5=CC=C6C(=O)C=7C=CC=CC7C=8C=CC(NC43)=C5C68 | CAS Common Chemistry |
| InChI | InChI=1S/C31H15NO3/c33-29-19-6-2-1-5-15(19)16-13-14-24-26-17(9-11-22(29)25(16)26)18-10-12-23-27(28(18)32-24)31(35)21-8-4-3-7-20(21)30(23)34/h1-14,32H | CAS Common Chemistry |
| InChI Key | InChIKey=HHKPGQSPFVLKMV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Vat Green 3 | CAS Common Chemistry |
| Heavy Atom Count | 35 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 7 | RDKit |
| Topological Polar Surface Area | 67.0 Ų | RDKit |
| 63.21 Ų | chempirical lib | |
| LogP | 6.354100000000003 | RDKit |
| 6.3541 | RDKit | |
| Molar Refractivity | 139.08569999999992 cm³/mol | RDKit |
| Ring Count | 8 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 449.10519334 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 = 449.47 g/mol. Edit any field — others recompute live.
