Summary

IMPPAT Phytochemical identifier: IMPHY013774

Phytochemical name: Triphenylphosphine

Synonymous chemical names:
triphenyl phosphine

External chemical identifiers:
CID:11776, ChEMBL:CHEMBL1448331, ZINC:ZINC000008585891, FDASRS:26D26OA393, SureChEMBL:SCHEMBL101, MolPort-001-770-774

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Chemical structure information

SMILES:
c1ccc(cc1)P(c1ccccc1)c1ccccc1

InChI:
InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H

InChIKey:
RIOQSEWOXXDEQQ-UHFFFAOYSA-N

DeepSMILES:
cccccc6))Pcccccc6))))))cccccc6

Functional groups:
cP(c)c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(P(c2ccccc2)c2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(P(C2CCCCC2)C2CCCCC2)CC1

Scaffold Graph level:
C1CCC(C(C2CCCCC2)C2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Phenylphosphines and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.009

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Chemical structure download