Summary

IMPPAT Phytochemical identifier: IMPHY014160

Phytochemical name: 2,3-diphenyl-1H-pyrrole

Synonymous chemical names:
2,3-diphenylpyrrole

External chemical identifiers:
CID:10104838, SureChEMBL:SCHEMBL3424232

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Chemical structure information

SMILES:
c1ccc(cc1)c1[nH]ccc1c1ccccc1

InChI:
InChI=1S/C16H13N/c1-3-7-13(8-4-1)15-11-12-17-16(15)14-9-5-2-6-10-14/h1-12,17H

InChIKey:
VNMNSTIGSQBDPI-UHFFFAOYSA-N

DeepSMILES:
cccccc6))c[nH]ccc5cccccc6

Functional groups:
c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(-c2cc[nH]c2-c2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(C2CCNC2C2CCCCC2)CC1

Scaffold Graph level:
C1CCC(C2CCCC2C2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrroles

ClassyFire Subclass: Substituted pyrroles

NP-Likeness score: -0.016

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Chemical structure download