Summary

IMPPAT Phytochemical identifier: IMPHY015457

Phytochemical name: 9-Diazofluorene

Synonymous chemical names:
9-diazofluorene

External chemical identifiers:
CID:70028, ChEMBL:CHEMBL386841, ZINC:ZINC000005045893, SureChEMBL:SCHEMBL482108

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Chemical structure information

SMILES:
[N-]=[N+]=C1c2ccccc2-c2c1cccc2

InChI:
InChI=1S/C13H8N2/c14-15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H

InChIKey:
LOBSPZHDUJUOES-UHFFFAOYSA-N

DeepSMILES:
[N-]=[N+]=Ccccccc6-cc9cccc6

Functional groups:
cC(c)=[N+]=[N-]

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
[NH2+]=C1c2ccccc2-c2ccccc21

Scaffold Graph/Node level:
NC1C2CCCCC2C2CCCCC12

Scaffold Graph level:
CC1C2CCCCC2C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Fluorenes

NP-Likeness score: 0.289

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Chemical structure download