Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID015256

Phytochemical name: Fluorene

Synonymous chemical names:
fluorene, diphenylenemethane

External chemical identifiers:
CID:CID_6853, ChEMBL:CHEMBL16236, ChEBI:CHEBI:28266, ZINC:ZINC000000968333, FDASRS:3Q2UY0968A, SureChEMBL:SCHEMBL8180, MolPort-000-872-083

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Chemical structure information

SMILES:
c1ccc2-c3c(Cc2c1)cccc3

InChI:
InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2

InChIKey:
NIHNNTQXNPWCJQ-UHFFFAOYSA-N

DeepSMILES:
cccc-ccCc5c9)))cccc6

Link to spectral information:
MSBNK-Athens_Univ-AU591602, MSBNK-Athens_Univ-AU591617, MSBNK-Athens_Univ-AU591618, MSBNK-Athens_Univ-AU591619, MSBNK-Athens_Univ-AU591620

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)Cc1ccccc1-2

Scaffold Graph/Node level:
C1CCC2C(C1)CC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Fluorenes

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Polycyclic aromatic polyketides

NP Classifier Class: Anthraquinones and anthrones

NP-Likeness score: -0.113

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Chemical structure download