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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
Cibanone Navy Blue 01
Navinon Blue BO
NSC 2212
Vat Blue BO
Indanthrene Dark Blue DB
Indanthren Dark Blue DB
Caledon Navy BM
Violanthrene N
Cibanone Dark Blue BOA
Ostanthren Dark Blue BOA
Solanthrene Dark Blue BOA
Farbanthren Dark Blue BOA
Pigment Blue 65
C.I. Pigment Blue 65
Vat Dark Blue O
Solanthrene Dark Blue F-BA
Vat Blue 20
Sandothrene Dark Blue BOA
Mikethrene Dark Blue B
Dinaphtho[1,2,3-cd:3′,2′,1′-lm]perylene-5,10-dione
5,10-Violanthrenedione
Violanthrone A
C.I. Vat Blue 20
Tyrian Dark Blue I-BOA
Tinon Dark Blue MBA
Tinon Dark Blue MB
Tinon Dark Blue BOR
Tinon Dark Blue BOA
Tinon Dark Blue BO
Solanthrene Dark Blue BA
Solanthrene Dark Blue B
Sandothrene Dark Blue NMBA
Sandothrene Dark Blue NBOA
Sandothrene Dark Blue NBO
Sandothrene Dark Blue NBM
Romantrene Dark Blue FBO
Ponsol Dark Blue BRD
Ponsol Dark Blue BR
Pernithrene Dark Blue BOA
Paradone Dark Blue 58321
Paradone Dark Blue
Palanthrene Dark Blue BOA
Nyanthrene Navy Blue BR
Nihonthrene Dark Blue BOA
Nihonthrene Dark Blue BO
Navinon Dark Blue BO
Mikethrene Dark Blue BOA
Mikethrene Dark Blue BO
Leucosol Dark Blue BR
Irgalite Blue 2R
Indanthrene Dark Blue BO
Indanthren Dark Blue BOA
Hydroform Deep Blue BOA
Fenanthren Dark Blue BO
Endurol Dark Blue BOR
Dibenzanthrone
Cibanone Dark Blue MBA
Cibanone Dark Blue FMBA
Cibanone Dark Blue FBOA
Cibanone Dark Blue BO
Carbanthrene Printing Dark Blue DR
Carbanthrene Dark Blue DR
Caledon Printing Dark Blue BM
Caledon Dark Blue BM
Calcoloid Dark Blue BOD
Calcoloid Dark Blue BO
Calcoloid Dark Blue B 2R
Bianthrone A
Benzadone Navy Blue R
Benzadone Dark Blue BORI
Benzadone Dark Blue BOR
Benzadone Dark Blue BOA
Belanthrene Dark Blue BO
Anthravat Dark Blue BO
Amanthrene Supra Dark Blue BO
Amanthrene Dark Blue BO
Ahcovat Dark Blue BO
C.I. 59800
Violanthrone
Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione
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 |
