Basic information
- CAS
4430-55-1- Standard SMILES
COc1cc2c3c(ccc4c5c(OC)cc6c7c(ccc(c1c34)c75)C(=O)c1ccccc1-6)C(=O)c1ccccc1-2- InChIKey
QAYWRCZPILDEGZ-UHFFFAOYSA-N- Molecular formula
- C36H20O4
- Average molar mass
- 516.5 g/mol
- Monoisotopic mass
- 516.13615911
Names & identifiers
- Preferred name
- Palanthrene Cyanine B
- IUPAC
- 18,34-dimethoxynonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(31),2(34),3(16),4(13),5(33),6,8,10,14,17,19,21,23,25,28(32),29-hexadecaene-12,27-dione
- English name
- 6,15-dimethoxybenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione
- Molecular formula
- C36H20O4
- Molecular weight
- 516.54
Names & synonyms
Palanthrene Cyanine B4430-55-1C.I. Vat Blue 26EINECS 224-626-0C2YL7XYZ976,15-Dimethoxybenzo(rst)phenanthro(10,1,2-cde)pentaphene-9,18-dioneIsoviolanthrone, 6,15-dimethoxy-C.I. 60015INDANTHREN CYANINE BDTXSID40634526,15-dimethoxybenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dioneBenzo(rst)phenanthro(10,1,2-cde)pentaphene-9,18-dione, 6,15-dimethoxy-
Show more names
C.I.60015Vat Blue 26C.I.VATBLUE26Vat blue 26 (C.I. 60015)C.I.Vat Blue 26:C.I.60015Indanthrene Brilliant Blue B6,15-Dimethoxydinaphtho[1,2,3-cd:1',2',3'-lm]perylene-9,18-dione
Benzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione, 6,15-dimethoxy-.ALPHA.-(2-(3-FLUORO-4-METHOXYPHENYL)-2-OXO-1-((3,4,5-TRIMETHOXYPHENYL)METHYL)ETHYLIDENE)-2,1,3-BENZOTHIADIAZOLE-5-ACETIC ACIDRefChem:858297DTXCID3040304224-626-0ALPHA-(2-(3-FLUORO-4-METHOXYPHENYL)-2-OXO-1-((3,4,5-TRIMETHOXYPHENYL)METHYL)ETHYLIDENE)-2,1,3-BENZOTHIADIAZOLE-5-ACETIC ACIDUNII-C2YL7XYZ97SCHEMBL9012650
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 971
Physicochemical properties
- Density
- 1.455 · 1.455±0.06 g/cm3(Predicted)
- FDA UNII
- 2 YL7XYZ97 · C2YL7XYZ97
- EPA Substance Registry System
- 10 · Benzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione, 6,15-dimethoxy- (4430-55-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Dinaphtho[1,2,3-cd:1',2',3'-lm]perylene-9,18-dione, 6,15-dimethoxy-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione, 6,15-dimethoxy-: INACTIVE
Preparation methods
PreparationIsoviolanthroneoxidation, and methylation.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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