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1-[2,5-di(pyren-1-yl)phenyl]pyrene

1-[2,5-di(pyren-1-yl)phenyl]pyrene

Systemtic Name:1-[2,5-di(pyren-1-yl)phenyl]pyrene
Openeye Name:1-[2,5-di(pyren-1-yl)phenyl]pyrene
CAS Name:1-[2,5-bis(1-pyrenyl)phenyl]pyrene
IUPAC Name:1-[2,5-di(pyren-1-yl)phenyl]pyrene
Traditional Name:1-[2,5-di(pyren-1-yl)phenyl]pyrene
Formula: C54H30
MolecularWeight: 678.816
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C5=CC(=C(C=C5)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1


Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C5=CC(=C(C=C5)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1


InChI

InChI=1S/C54H30/c1-4-31-10-13-37-16-23-41(45-27-19-34(7-1)49(31)52(37)45)40-22-26-43(42-24-17-38-14-11-32-5-2-8-35-20-28-46(42)53(38)50(32)35)48(30-40)44-25-18-39-15-12-33-6-3-9-36-21-29-47(44)54(39)51(33)36/h1-30H


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