Basic information
- CAS
7153-72-2- Standard SMILES
O=C1C(Cl)=C(Nc2ccc(Nc3ccccc3)c(NC3=C(Cl)C(=O)c4ccccc4C3=O)c2)C(=O)c2ccccc21- InChIKey
JWSHRKNXFSJWEV-UHFFFAOYSA-N- Molecular formula
- C32H19Cl2N3O4
- Average molar mass
- 580.4 g/mol
- Monoisotopic mass
- 579.0752615
Names & identifiers
- Preferred name
- 2-[4-Anilino-3-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]anilino]-3-chloronaphthalene-1,4-dione
- IUPAC
- 2-[4-anilino-3-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]anilino]-3-chloronaphthalene-1,4-dione
Names & synonyms
NSC457397153-72-2DTXSID60328691NSC-457392,2'-[(4-Anilino-1,3-phenylene)di(imino)]bis(3-chloronaphthoquinone)2,2'-[(4-Anilino-1,3-phenylene)bis(azanediyl)]bis(3-chloronaphthalene-1,4-dione)2,2'-[(4-Anilino-1,3-phenylene)diazanediyl]bis(3-chloronaphthalene-1,4-dione)2-[4-anilino-3-[(3-chloro-1,4-dioxo-2-naphthyl)amino]anilino]-3-chloro-naphthalene-1,4-dione
Database identifiers
- CAS
7153-72-2- PubChem CID
- 413256
- DTXSID
DTXSID60328691
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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