Back to Search
Violanthrone
CAS: 116-71-2 | C34H16O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
116-71-2
Molecular Formula:
C34H16O2
Molecular Weight:
456.5000000000002 g/mol
Names and Synonyms:
Violanthrone
Common Name
Cibanone Navy Blue 01
Synonym
Navinon Blue BO
Synonym
NSC 2212
Synonym
Vat Blue BO
Synonym
Indanthrene Dark Blue DB
Synonym
Indanthren Dark Blue DB
Synonym
Caledon Navy BM
Synonym
Violanthrene N
Synonym
Cibanone Dark Blue BOA
Synonym
Ostanthren Dark Blue BOA
Synonym
Solanthrene Dark Blue BOA
Synonym
Farbanthren Dark Blue BOA
Synonym
Pigment Blue 65
Synonym
C.I. Pigment Blue 65
Synonym
Vat Dark Blue O
Synonym
Solanthrene Dark Blue F-BA
Synonym
Vat Blue 20
Synonym
Sandothrene Dark Blue BOA
Synonym
Mikethrene Dark Blue B
Synonym
Dinaphtho[1,2,3-cd:3′,2′,1′-lm]perylene-5,10-dione
Synonym
5,10-Violanthrenedione
Synonym
Violanthrone A
Synonym
C.I. Vat Blue 20
Synonym
Tyrian Dark Blue I-BOA
Synonym
Tinon Dark Blue MBA
Synonym
Tinon Dark Blue MB
Synonym
Tinon Dark Blue BOR
Synonym
Tinon Dark Blue BOA
Synonym
Tinon Dark Blue BO
Synonym
Solanthrene Dark Blue BA
Synonym
Solanthrene Dark Blue B
Synonym
Sandothrene Dark Blue NMBA
Synonym
Sandothrene Dark Blue NBOA
Synonym
Sandothrene Dark Blue NBO
Synonym
Sandothrene Dark Blue NBM
Synonym
Romantrene Dark Blue FBO
Synonym
Ponsol Dark Blue BRD
Synonym
Ponsol Dark Blue BR
Synonym
Pernithrene Dark Blue BOA
Synonym
Paradone Dark Blue 58321
Synonym
Paradone Dark Blue
Synonym
Palanthrene Dark Blue BOA
Synonym
Nyanthrene Navy Blue BR
Synonym
Nihonthrene Dark Blue BOA
Synonym
Nihonthrene Dark Blue BO
Synonym
Navinon Dark Blue BO
Synonym
Mikethrene Dark Blue BOA
Synonym
Mikethrene Dark Blue BO
Synonym
Leucosol Dark Blue BR
Synonym
Irgalite Blue 2R
Synonym
Indanthrene Dark Blue BO
Synonym
Indanthren Dark Blue BOA
Synonym
Hydroform Deep Blue BOA
Synonym
Fenanthren Dark Blue BO
Synonym
Endurol Dark Blue BOR
Synonym
Dibenzanthrone
Synonym
Cibanone Dark Blue MBA
Synonym
Cibanone Dark Blue FMBA
Synonym
Cibanone Dark Blue FBOA
Synonym
Cibanone Dark Blue BO
Synonym
Carbanthrene Printing Dark Blue DR
Synonym
Carbanthrene Dark Blue DR
Synonym
Caledon Printing Dark Blue BM
Synonym
Caledon Dark Blue BM
Synonym
Calcoloid Dark Blue BOD
Synonym
Calcoloid Dark Blue BO
Synonym
Calcoloid Dark Blue B 2R
Synonym
Bianthrone A
Synonym
Benzadone Navy Blue R
Synonym
Benzadone Dark Blue BORI
Synonym
Benzadone Dark Blue BOR
Synonym
Benzadone Dark Blue BOA
Synonym
Belanthrene Dark Blue BO
Synonym
Anthravat Dark Blue BO
Synonym
Amanthrene Supra Dark Blue BO
Synonym
Amanthrene Dark Blue BO
Synonym
Ahcovat Dark Blue BO
Synonym
C.I. 59800
Synonym
Violanthrone
Synonym
Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione
Synonym
Identifiers:
SMILES:
O=C1c2ccccc2-c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)c1ccccc1-5
InChI:
InChI=1S/C34H16O2/c35-33-25-7-3-1-5-17(25)19-9-11-21-22-12-10-20-18-6-2-4-8-26(18)34(36)28-16-14-24(30(22)32(20)28)23-13-15-27(33)31(19)29(21)23/h1-16H
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 456.50 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Violanthrone None | Legacy Database |
| cas-canonical-smile | O=C1C=2C=CC=CC2C=3C=CC=4C5=CC=C6C=7C=CC=CC7C(=O)C=8C=CC(C9=CC=C1C3C94)=C5C86 None | Legacy Database |
| cas-inchi | InChI=1S/C34H16O2/c35-33-25-7-3-1-5-17(25)19-9-11-21-22-12-10-20-18-6-2-4-8-26(18)34(36)28-16-14-24(30(22)32(20)28)23-13-15-27(33)31(19)29(21)23/h1-16H None | Legacy Database |
| cas-inchi-key | InChIKey=YKSGNOMLAIJTLT-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 338-339 °C None | Legacy Database |
| cas-name | Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione None | Legacy Database |
| wikipedia-name | Violanthrone None | Legacy Database |
| LogP | 8.160000000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 456.5000000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 456.115029752 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 36 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 7 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 34.14 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 145.3889999999998 | RDKit |