N-(2,4,6-trinitrophenyl)carbazol-9-amine

HCID 77263

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Basic information

CAS: 21046-05-9
Standard SMILES: O=[N+]([O-])c1cc([N+](=O)[O-])c(Nn2c3ccccc3c3ccccc32)c([N+](=O)[O-])c1
InChIKey: FRLJBDXFYGRMJG-UHFFFAOYSA-N
Molecular formula: C18H11N5O6
Average molar mass: 393.3 g/mol
Monoisotopic mass: 393.07093309

Names & identifiers

Preferred name: N-(2,4,6-trinitrophenyl)carbazol-9-amine
IUPAC: N-(2,4,6-trinitrophenyl)carbazol-9-amine

Names & synonyms

21046-05-9N-(2,4,6-trinitrophenyl)carbazol-9-amine3685-38-9NSC41626NCIOpen2_009535SCHEMBL265351CHEMBL1965776N-(2,4,6-TRINITROPHENYL)-9H-CARBAZOL-9-AMINESCHEMBL31238056Carbazole,4,6-trinitroanilino)-DTXSID60275752FRLJBDXFYGRMJG-UHFFFAOYSA-N

Show more names

NSC85021NSC-41626NSC-850219-(2,4,6-trinitroanilino)carbazoleNCI60_041864NS00047921

Database identifiers

CAS: 21046-05-9、3685-38-9
PubChem CID: 77263
DTXSID: DTXSID60275752
ChEMBL: CHEMBL1965776
EC Number: 222-973-2
Nikkaji: J1.258.459H

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 154 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 29
Formal charge: 0
Complexity: 615

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