N,N'-Bis(9,10-dihydro-9,10-dioxo-1-anthryl)isophthaldiamide
Basic information
- CAS
3627-47-2- Standard SMILES
O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1- InChIKey
KNRXJDRHZHRIBB-UHFFFAOYSA-N- Molecular formula
- C36H20N2O6
- Average molar mass
- 576.6 g/mol
- Monoisotopic mass
- 576.13213636
Names & identifiers
- Preferred name
- N,N'-Bis(9,10-dihydro-9,10-dioxo-1-anthryl)isophthaldiamide
- IUPAC
- 1-N,3-N-bis(9,10-dioxoanthracen-1-yl)benzene-1,3-dicarboxamide
- English name
- N,N'-bis(9,10-dihydro-9,10-dioxo-1-anthryl)isophthaldiamide
- Molecular formula
- C36H20N2O6
- Molecular weight
- 576.55
Names & synonyms
3627-47-2N,N'-Bis(9,10-dihydro-9,10-dioxo-1-anthryl)isophthaldiamide1-N,3-N-bis(9,10-dioxoanthracen-1-yl)benzene-1,3-dicarboxamideEINECS 222-845-6SCHEMBL21436534AKOS003889734NS00047570Disperse Yellow 127Vat yellow 26 (C.I. 65410)C.I.Vat Yellow 26:C.I.65410C.I.Disperse Yellow 127:C.I.65410N,N'-bis-(9,10-dioxo-9,10-dihydro-[1]anthryl)-isophthalamide
Show more names
1,3-Benzenedicarboxamide, N1,N3-bis(9,10-dihydro-9,10-dioxo-1-anthracenyl)-
Database identifiers
- CAS
3627-47-2- PubChem CID
- 77186
- EC Number
- 222-845-6
- Nikkaji
- J67.065K
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,120
Physicochemical properties
- Boiling point
- 715.9 · 715.9±60.0 °C(Predicted)
- Density
- 1.491 · 1.491±0.06 g/cm3(Predicted)
- pka
- 11.7 · 11.70±0.20(Predicted)
Chemistry & industry
Preparation methods
Preparation1-Aminoanthracene-9,10-dione with Isophthaloyl dichlorideacylated..
Upstream & downstream products
Upstream raw materials
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Compound notes
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