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Molecule
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 Mass
- 456.50 g/mol
Identifiers
CAS Registry Number
116-71-2
SMILES
O=C1c2ccccc2-c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)c1ccccc1-5
InChI Key
YKSGNOMLAIJTLT-UHFFFAOYSA-N
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
Names and Synonyms
- Violanthrone Common Name
- Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione Synonym
- Violanthrone Synonym
- C.I. 59800 Synonym
- Ahcovat Dark Blue BO Synonym
- Amanthrene Dark Blue BO Synonym
- Amanthrene Supra Dark Blue BO Synonym
- Anthravat Dark Blue BO Synonym
- Belanthrene Dark Blue BO Synonym
- Benzadone Dark Blue BOA Synonym
- Benzadone Dark Blue BOR Synonym
- Benzadone Dark Blue BORI Synonym
- Benzadone Navy Blue R Synonym
- Bianthrone A Synonym
- Calcoloid Dark Blue B 2R Synonym
- Calcoloid Dark Blue BO Synonym
- Calcoloid Dark Blue BOD Synonym
- Caledon Dark Blue BM Synonym
- Caledon Printing Dark Blue BM Synonym
- Carbanthrene Dark Blue DR Synonym
- Carbanthrene Printing Dark Blue DR Synonym
- Cibanone Dark Blue BO Synonym
- Cibanone Dark Blue FBOA Synonym
- Cibanone Dark Blue FMBA Synonym
- Cibanone Dark Blue MBA Synonym
- Dibenzanthrone Synonym
- Endurol Dark Blue BOR Synonym
- Fenanthren Dark Blue BO Synonym
- Hydroform Deep Blue BOA Synonym
- Indanthren Dark Blue BOA Synonym
- Indanthrene Dark Blue BO Synonym
- Irgalite Blue 2R Synonym
- Leucosol Dark Blue BR Synonym
- Mikethrene Dark Blue BO Synonym
- Mikethrene Dark Blue BOA Synonym
- Navinon Dark Blue BO Synonym
- Nihonthrene Dark Blue BO Synonym
- Nihonthrene Dark Blue BOA Synonym
- Nyanthrene Navy Blue BR Synonym
- Palanthrene Dark Blue BOA Synonym
- Paradone Dark Blue Synonym
- Paradone Dark Blue 58321 Synonym
- Pernithrene Dark Blue BOA Synonym
- Ponsol Dark Blue BR Synonym
- Ponsol Dark Blue BRD Synonym
- Romantrene Dark Blue FBO Synonym
- Sandothrene Dark Blue NBM Synonym
- Sandothrene Dark Blue NBO Synonym
- Sandothrene Dark Blue NBOA Synonym
- Sandothrene Dark Blue NMBA Synonym
- Solanthrene Dark Blue B Synonym
- Solanthrene Dark Blue BA Synonym
- Tinon Dark Blue BO Synonym
- Tinon Dark Blue BOA Synonym
- Tinon Dark Blue BOR Synonym
- Tinon Dark Blue MB Synonym
- Tinon Dark Blue MBA Synonym
- Tyrian Dark Blue I-BOA Synonym
- C.I. Vat Blue 20 Synonym
- Violanthrone A Synonym
- 5,10-Violanthrenedione Synonym
- Dinaphtho[1,2,3-cd:3′,2′,1′-lm]perylene-5,10-dione Synonym
- Mikethrene Dark Blue B Synonym
- Sandothrene Dark Blue BOA Synonym
- Vat Blue 20 Synonym
- Solanthrene Dark Blue F-BA Synonym
- Vat Dark Blue O Synonym
- C.I. Pigment Blue 65 Synonym
- Pigment Blue 65 Synonym
- Farbanthren Dark Blue BOA Synonym
- Solanthrene Dark Blue BOA Synonym
- Ostanthren Dark Blue BOA Synonym
- Cibanone Dark Blue BOA Synonym
- Violanthrene N Synonym
- Caledon Navy BM Synonym
- Indanthren Dark Blue DB Synonym
- Indanthrene Dark Blue DB Synonym
- Vat Blue BO Synonym
- NSC 2212 Synonym
- Navinon Blue BO Synonym
- Cibanone Navy Blue 01 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 456.50 g/mol | CAS Common Chemistry |
| 456.5000000000002 g/mol | RDKit | |
| 456.5 g/mol | RDKit | |
| 458.516 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Violanthrone | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2C=3C=CC=4C5=CC=C6C=7C=CC=CC7C(=O)C=8C=CC(C9=CC=C1C3C94)=C5C86 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=YKSGNOMLAIJTLT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 338-339 °C | CAS Common Chemistry |
| Name | Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione | CAS Common Chemistry |
| Heavy Atom Count | 36 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 7 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | 8.160000000000004 | RDKit |
| 8.16 | RDKit | |
| Molar Refractivity | 145.3889999999998 cm³/mol | RDKit |
| Ring Count | 9 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 456.115029752 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 456.50 g/mol. Edit any field — others recompute live.
