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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 80929Generated: October 23, 2026

10-(9-oxo-9H-naphth(3,2,1-kl)acridin-2-yl)naphth(2,3-c)acridine-5,8,14(13H)-trione

C.I.70695 · Vat Brown 31 · Einecs 229-251-6 · C.I.Vat Brown 31 · C.I.Vat Brown 31:C.I.70695 · Naphth(2,3-C)acridine-5,8,14(13H)-trione, 10-(9-oxo-9H-naphth(3,2,1-kl)acridin-2-yl)-

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10-(9-oxo-9H-naphth(3,2,1-kl)acridin-2-yl)naphth(2,3-c)acridine-5,8,14(13H)-trione molecular structure

Identifiers & Physical Properties

CAS No.6451-09-8
Molecular formulaC41H20N2O4
Average molar mass604.6 g/mol
Monoisotopic mass604.14230712 g/mol
SMILESO=C1c2ccccc2C(=O)c2c1ccc1c(=O)c3cc(-c4ccc5nc6cccc7c6c(c5c4)-c4ccccc4C7=O)ccc3[nH]c21
InChIKeyUSAKOFCBHMNYNR-UHFFFAOYSA-N
PubChem CID80929
EC No.229-251-6
DTXSIDDTXSID2064369

Chemical & Physical Properties

XLogP8.3
Topological polar surface area93.2
Hydrogen bond donors1
Hydrogen bond acceptors6
Rotatable bonds1
Heavy atoms47
Formal charge0
Complexity1,330
Density1.473±0.06 g/cm3(Predicted)
pKa (acidity coefficient)4.76±0.20(Predicted)
EPA Substance Registry SystemNaphth[2,3-c]acridine-5,8,14(13H)-trione, 10-(9-oxo-9H-naphth[3,2,1-kl]acridin-2-yl)- (6451-09-8)
TSCA inventory statusTSCA listed

Safety & Regulations

TSCA inventory statusTSCA listed

Preparation & Synthesis

Preparation

1-Nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid (2 Moore) and 4-(4-Aminophenyl)benzenamine (1 Moore) condensation, then in sulfuric acid central change, then take off carboxyl group. Note: in addition to Acridone and Acridine dye outside, goods in the dye containing about 23% and 7% corresponding double Acridone and double Acridine dye.