Anthra(2,1,9-mna)benz(6,7)indazolo(2,3,4-fgh)acridine-5,10-dione
Basic information
- CAS
6247-39-8- Standard SMILES
O=c1c2ccccc2c2ccc3c4c(ccc1c24)c1ccc2c(=O)c4ccccc4c4nn3c1c24- InChIKey
KQXAEVNNCQHYTP-UHFFFAOYSA-N- Molecular formula
- C31H14N2O2
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.10552769
Names & identifiers
- Preferred name
- Anthra(2,1,9-mna)benz(6,7)indazolo(2,3,4-fgh)acridine-5,10-dione
- IUPAC
- 2,33-diazanonacyclo[18.10.2.12,5.03,16.04,13.06,11.017,31.022,27.028,32]tritriaconta-1(30),3(16),4(13),5(33),6,8,10,14,17(31),18,20(32),22,24,26,28-pentadecaene-12,21-dione
- English name
- anthra[2,1,9-mna]benz[6,7]indazolo[2,3,4-fgh]acridine-5,10-dione
- Molecular formula
- C31H14N2O2
- Molecular weight
- 446.45506
Names & synonyms
Paradone Navy Blue RIndanthren Navy Blue ROstanthren Navy Blue RNihonthrene Navy Blue RMikethrene Marine Blue Ranthra[2,1,9-mna]benz[6,7]indazolo[2,3,4-fgh]acridine-5,10-dioneC.I. Vat Blue 25Modr Kypova 25Modr Kypova 25 [Czech]C.I. 70500EINECS 228-366-9BRN 0062096
Show more names
C.I.70500Vat Blue 25C.I.Vat Blue 25Vat blue 25 (C.I. 70500)C.I.Vat Blue 25:C.I.70500
Modr Namornicka Ostanthrenova RModr Namornicka Ostanthrenova R [Czech]DTXSID902115074-24-00-01860 (Beilstein Handbook Reference)Anthra(2,1,9-mna)benz(6,7)indazolo(2,3,4-fgh)acridine-5,10-dioneRefChem:319699DTXCID50133998228-366-9
Database identifiers
- CAS
6247-39-8- PubChem CID
- 80393
- DTXSID
DTXSID90211507- EC Number
- 228-366-9
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 51.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 948
Physicochemical properties
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- -3.06 · -3.06±0.20(Predicted)
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: Anthra[2,1,9-mna]benz[6,7]indazolo[2,3,4-fgh]acridine-5,10-dione
Chemistry & industry
Preparation methods
Preparation3-Bromo-6aH-benzo[de]anthracen-7(8H)-one and 3H-naphtho[2,3-f]indazol-3-onecondensation, the product with Etanol/Potassium hydroxide melt.
Upstream & downstream products
Upstream raw materials
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Compound notes
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