4-[2,3-di(pyren-4-yl)phenyl]pyrene

Systemtic Name: 4-[2,3-di(pyren-4-yl)phenyl]pyrene Openeye Name: 4-[2,3-di(pyren-4-yl)phenyl]pyrene CAS Name: 4-[2,3-bis(4-pyrenyl)phenyl]pyrene IUPAC Name: 4-[2,3-di(pyren-4-yl)phenyl]pyrene Traditional Name: 4-[2,3-di(pyren-4-yl)phenyl]pyrene Formula: C54H30 MolecularWeight: 678.816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=C(C4=CC=CC(=C43)C=C2)C5=C(C(=CC=C5)C6=CC7=CC=CC8=C7C9=C(C=CC=C69)C=C8)C1=CC2=CC=CC3=C2C2=C(C=CC=C12)C=C3

Isomeric SMILES

C1=CC2=C3C(=C1)C=C(C4=CC=CC(=C43)C=C2)C5=C(C(=CC=C5)C6=CC7=CC=CC8=C7C9=C(C=CC=C69)C=C8)C1=CC2=CC=CC3=C2C2=C(C=CC=C12)C=C3

InChI

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