Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017970

Phytochemical name: Diphenylmethane

Synonymous chemical names:
Diphenylmethane

External chemical identifiers:
CID:CID_7580, ChEMBL:CHEMBL1796022, ChEBI:CHEBI:38884, ZINC:ZINC000001680359, FDASRS:K3E387I0BC, SureChEMBL:SCHEMBL1303, Molport-001-738-538

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Chemical structure information

SMILES:
c1ccc(cc1)Cc1ccccc1

InChI:
InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2

InChIKey:
CZZYITDELCSZES-UHFFFAOYSA-N

DeepSMILES:
cccccc6))Ccccccc6

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(Cc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(CC2CCCCC2)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: Diphenylmethanes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.17

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Chemical structure download