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(Q82038742)
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English
1-(3,4,5-triphenyl-1h-pyrrol-2-yl)isoquinoline
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
422.17829870400004
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₁H₂₂N₂
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canonical SMILES
C1=CC=C(C=C1)C2=C(NC(=C2C3=CC=CC=C3)C4=NC=CC5=CC=CC=C54)C6=CC=CC=C6
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Identifiers
InChI
InChI=1S/C31H22N2/c1-4-13-23(14-5-1)27-28(24-15-6-2-7-16-24)31(33-29(27)25-17-8-3-9-18-25)30-26-19-11-10-12-22(26)20-21-32-30/h1-21,33H
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InChIKey
VGJFVAPAEXMESO-UHFFFAOYSA-N
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CAS Registry Number
10425-52-2
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PubChem CID
272336
1 reference
matched by identifier from
InChIKey
InChIKey
VGJFVAPAEXMESO-UHFFFAOYSA-N
UniChem compound ID
1563359
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60297575
1 reference
matched by identifier from
InChIKey
InChIKey
VGJFVAPAEXMESO-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90248712
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NSC number
116642
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