Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017256

Phytochemical name: 1,1-Diphenylethane

Synonymous chemical names:
1,1-diphenyl-ethane

External chemical identifiers:
CID:CID_11918, ZINC:ZINC000001665753, FDASRS:9813FDC9QO, SureChEMBL:SCHEMBL169730

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Chemical structure information

SMILES:
CC(c1ccccc1)c1ccccc1

InChI:
InChI=1S/C14H14/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3

InChIKey:
BSZXAFXFTLXUFV-UHFFFAOYSA-N

DeepSMILES:
CCcccccc6))))))cccccc6

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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: -0.003

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Chemical structure download