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1-[2-[4-(2-pyren-1-ylethynyl)phenyl]ethynyl]pyrene

1-[2-[4-(2-pyren-1-ylethynyl)phenyl]ethynyl]pyrene

Systemtic Name:1-[2-[4-(2-pyren-1-ylethynyl)phenyl]ethynyl]pyrene
Openeye Name:1-[2-[4-(2-pyren-1-ylethynyl)phenyl]ethynyl]pyrene
CAS Name:1-[2-[4-[2-(1-pyrenyl)ethynyl]phenyl]ethynyl]pyrene
IUPAC Name:1-[2-[4-(2-pyren-1-ylethynyl)phenyl]ethynyl]pyrene
Traditional Name:1-[2-[4-(2-pyren-1-ylethynyl)phenyl]ethynyl]pyrene
Formula: C42H22
MolecularWeight: 526.62408
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C#CC5=CC=C(C=C5)C#CC6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6


Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C#CC5=CC=C(C=C5)C#CC6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6


InChI

InChI=1S/C42H22/c1-3-31-19-21-35-17-15-29(37-25-23-33(5-1)39(31)41(35)37)13-11-27-7-9-28(10-8-27)12-14-30-16-18-36-22-20-32-4-2-6-34-24-26-38(30)42(36)40(32)34/h1-10,15-26H


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