Summary

IMPPAT Phytochemical identifier: IMPHY001886

Phytochemical name: Diphenylamine

Synonymous chemical names:
diphenylamine

External chemical identifiers:
CID:11487, ChEMBL:CHEMBL38688, ChEBI:4640, ZINC:ZINC000000967716, FDASRS:9N3CBB0BIQ, SureChEMBL:SCHEMBL229, MolPort-001-641-019

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Chemical structure information

SMILES:
c1ccc(cc1)Nc1ccccc1

InChI:
InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H

InChIKey:
DMBHHRLKUKUOEG-UHFFFAOYSA-N

DeepSMILES:
cccccc6))Ncccccc6

Functional groups:
cNc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(Nc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(NC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Aniline and substituted anilines

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.658

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Chemical structure download