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Violanthrone
CAS: 116-71-2 | C34H16O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
116-71-2
Molecular Formula:
C34H16O2
Molecular Mass:
456.50 g/mol
Names and Synonyms:
Violanthrone
Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione
Violanthrone
C.I. 59800
Ahcovat Dark Blue BO
Amanthrene Dark Blue BO
Amanthrene Supra Dark Blue BO
Anthravat Dark Blue BO
Belanthrene Dark Blue BO
Benzadone Dark Blue BOA
Benzadone Dark Blue BOR
Benzadone Dark Blue BORI
Benzadone Navy Blue R
Bianthrone A
Calcoloid Dark Blue B 2R
Calcoloid Dark Blue BO
Calcoloid Dark Blue BOD
Caledon Dark Blue BM
Caledon Printing Dark Blue BM
Carbanthrene Dark Blue DR
Carbanthrene Printing Dark Blue DR
Cibanone Dark Blue BO
Cibanone Dark Blue FBOA
Cibanone Dark Blue FMBA
Cibanone Dark Blue MBA
Dibenzanthrone
Endurol Dark Blue BOR
Fenanthren Dark Blue BO
Hydroform Deep Blue BOA
Indanthren Dark Blue BOA
Indanthrene Dark Blue BO
Irgalite Blue 2R
Leucosol Dark Blue BR
Mikethrene Dark Blue BO
Mikethrene Dark Blue BOA
Navinon Dark Blue BO
Nihonthrene Dark Blue BO
Nihonthrene Dark Blue BOA
Nyanthrene Navy Blue BR
Palanthrene Dark Blue BOA
Paradone Dark Blue
Paradone Dark Blue 58321
Pernithrene Dark Blue BOA
Ponsol Dark Blue BR
Ponsol Dark Blue BRD
Romantrene Dark Blue FBO
Sandothrene Dark Blue NBM
Sandothrene Dark Blue NBO
Sandothrene Dark Blue NBOA
Sandothrene Dark Blue NMBA
Solanthrene Dark Blue B
Solanthrene Dark Blue BA
Tinon Dark Blue BO
Tinon Dark Blue BOA
Tinon Dark Blue BOR
Tinon Dark Blue MB
Tinon Dark Blue MBA
Tyrian Dark Blue I-BOA
C.I. Vat Blue 20
Violanthrone A
5,10-Violanthrenedione
Dinaphtho[1,2,3-cd:3′,2′,1′-lm]perylene-5,10-dione
Mikethrene Dark Blue B
Sandothrene Dark Blue BOA
Vat Blue 20
Solanthrene Dark Blue F-BA
Vat Dark Blue O
C.I. Pigment Blue 65
Pigment Blue 65
Farbanthren Dark Blue BOA
Solanthrene Dark Blue BOA
Ostanthren Dark Blue BOA
Cibanone Dark Blue BOA
Violanthrene N
Caledon Navy BM
Indanthren Dark Blue DB
Indanthrene Dark Blue DB
Vat Blue BO
NSC 2212
Navinon Blue BO
Cibanone Navy Blue 01
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
Key Properties
Melting Point
338-339 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 456.50 g/mol | CAS Common Chemistry |
| 456.5000000000002 g/mol | RDKit | |
| 456.115029752 g/mol | RDKit | |
| 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 |
| Violanthrone | 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 |
| Molar Refractivity | 145.3889999999998 | RDKit |
Related Molecules
Other compounds with formula C34H16O2
