Compound: Violanthrone
SMILES: O=C1c2c3c4c(c5c6c7c(C(=O)c8ccccc8-c7ccc6c4ccc3-c9c1cccc9)cc5)cc2
InChIKey: YKSGNOMLAIJTLT-UHFFFAOYSA-N
Synonyms: Violanthrone, 116-71-2, Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, Dibenzanthrone, Violanthrone A, 5,10-Violanthrenedione, Bianthrone A, Vat Blue 20, Tinon Dark Blue BOA, Ahcovat Dark Blue BO, Caledon Dark Blue BM, Irgalite Blue 2R, Paradone Dark Blue, Belanthrene Dark Blue BO, Indanthrene Dark Blue BO, Indanthren Dark Blue BOA, Tinon Dark Blue BO, Tinon Dark Blue MB, Violanthrene N, Ponsol Dark Blue BR, Tinon Dark Blue BOR, Tinon Dark Blue MBA, Navinon Dark Blue BO, Benzadone Navy Blue R, Ponsol Dark Blue BRD, Cibanone Dark Blue BO, Leucosol Dark Blue BR, Endurol Dark Blue BOR, Mikethrene Dark Blue B, Anthravat Dark Blue BO, Calcoloid Dark Blue BO, Cibanone Dark Blue MBA, Amanthrene Dark Blue BO, Fenanthren Dark Blue BO, Mikethrene Dark Blue BO, Nyanthrene Navy Blue BR, Solanthrene Dark Blue B, Vat Dark Blue O, Benzadone Dark Blue BOA, Benzadone Dark Blue BOR, Calcoloid Dark Blue BOD, Hydroform Deep Blue BOA, C.I. Vat Blue 20, Calcoloid Dark Blue B2R, Cibanone Dark Blue FBOA, Cibanone Dark Blue FMBA, Nihonthrene Dark Blue BO, Solanthrene Dark Blue BA, Tyrian Dark Blue I-BOA, Mikethrene Dark Blue BOA, Romantrene Dark Blue FBO, Benzadone Dark Blue BORI, Carbanthrene Dark Blue DR, Nihonthrene Dark Blue BOA, Palanthrene Dark Blue BOA, Pernithrene Dark Blue BOA, Sandothrene Dark Blue BOA, Sandothrene Dark Blue NBM, Sandothrene Dark Blue NBO, Sandothrene Dark Blue NBOA, Sandothrene Dark Blue NMBA, Solanthrene Dark Blue F-BA, Paradone Dark Blue 58321, Cibanone Dark Blue BOA, Amanthrene Supra Dark Blue BO, Caledon Printing Dark Blue BM, Ostanthren Dark Blue BOA, Farbanthren Dark Blue BOA, Solanthrene Dark Blue BOA, Carbanthrene Printing Dark Blue DR, Anthra(9,1,2-cde)benzo(rst)pentaphene-5,10-dione, VH1DQP6QPQ, C.I. 59800, NSC-2212, DTXSID7026281, RefChem:901974, Anthra9,1,2-cdebenzorstpentaphene-5,10-dione, DTXCID806281, 204-152-0, 814-885-3, Mikethren Dark Blue BOA, MFCD00046330, C34H16O2, Dinaphtho(1,2,3-cd:3',2',1'-lm)perylene-5,10-dione, nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(31),2,4,6,8,10,13,15,17,19,22,24,26,28(32),29,33-hexadecaene-12,21-dione, Violanthrene-5,10-dione, 5,10-Violanthrene dione, CI Vat Blue 20, UNII-VH1DQP6QPQ, NSC 2212, EINECS 204-152-0, Dinaphtho(1,3-cd:3',2',1'-lm)perylene-5,10-dione, Dinaphtho[1,3-cd:3',2',1'-lm]perylene-5,10-dione, Vat Blue20, Vat Blue-20, CI 59800, SCHEMBL79475, CHEMBL344254, orb1694918, SCHEMBL29354334, NSC2212, YKSGNOMLAIJTLT-UHFFFAOYSA-N, AKOS003617661, DS-5777, FA143390, SY113145, CS-0070037, NS00020562, F361869, Q17093626, WLN: L6 G666 R6 B6 V6 E&6 U6 4ABVW K& MV K&VJ, 57455-86-4, nonacyclo[18.10.2.2^{2,5.0^{3,16.0^{4,13.0^{6,11.0^{17,31.0^{22,27.0^{28,32]tetratriaconta-1(31),2,4,6,8,10,13,15,17,19,22,24,26,28(32),29,33-hexadecaene-12,21-dione
Theoretical properties:
molecular_formula: C34H16O2
molecular_weight: 456.5 g/mol
exact_mass: 456.115029749 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 36
topological_polar_surface_area: 34.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 914 to 923 °F (decomposes) (NTP, 1992)
solubility: less than 1 mg/mL at 66 °F (NTP, 1992)
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Violanthrone, also known as dibenzanthrone, is an organic compound that serves as a vat dye and a precursor to other vat dyes. X-ray crystallography confirms that the molecule is planar with C2v symmetry.  Isomeric with violanthrone is isoviolanthrone, which has a centrosymmetric structure.