N2-((4-(Diphenylamino)phenyl)methylene)-4-nitro-N1-phenyl-1,2-benzenediamine

HCID 150671

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Basic information

CAS: 55720-10-0
Standard SMILES: O=[N+]([O-])c1ccc(Nc2ccccc2)c(N=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c1
InChIKey: LJLDCUDCHKVENN-UHFFFAOYSA-N
Molecular formula: C31H24N4O2
Average molar mass: 484.5 g/mol
Monoisotopic mass: 484.18992602

Names & identifiers

Preferred name: N2-((4-(Diphenylamino)phenyl)methylene)-4-nitro-N1-phenyl-1,2-benzenediamine
IUPAC: 4-nitro-N-phenyl-2-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline

Names & synonyms

N2-((4-(Diphenylamino)phenyl)methylene)-4-nitro-N1-phenyl-1,2-benzenediamine1,2-Benzenediamine, N(sup 2)-((4-(diphenylamino)phenyl)methylene)-4-nitro-N(sup 1)-phenyl-4-Nitro-2-(p-diphenylaminobenzylidenamino)diphenylamine55720-10-0N(sup 2)-((4-(Diphenylamino)phenyl)methylene)-4-nitro-N(sup 1)-phenyl-1,2-benzenediamine1,2-Benzenediamine, N2-((4-(diphenylamino)phenyl)methylene)-4-nitro-N1-phenyl-

Database identifiers

CAS: 55720-10-0
PubChem CID: 150671

Properties

Computed structural properties

XLogP: 7.8
Topological polar surface area: 73.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 37
Formal charge: 0
Complexity: 695

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