1-[2,4,5-tri(pyren-1-yl)phenyl]pyrene

Systemtic Name: 1-[2,4,5-tri(pyren-1-yl)phenyl]pyrene Openeye Name: 1-[2,4,5-tri(pyren-1-yl)phenyl]pyrene CAS Name: 1-[2,4,5-tris(1-pyrenyl)phenyl]pyrene IUPAC Name: 1-[2,4,5-tri(pyren-1-yl)phenyl]pyrene Traditional Name: 1-[2,4,5-tri(pyren-1-yl)phenyl]pyrene Formula: C70H38 MolecularWeight: 879.05072

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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=C5C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)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=C5C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C70H38/c1-5-39-13-17-47-21-29-51(55-33-25-43(9-1)63(39)67(47)55)59-37-61(53-31-23-49-19-15-41-7-3-11-45-27-35-57(53)69(49)65(41)45)62(54-32-24-50-20-16-42-8-4-12-46-28-36-58(54)70(50)66(42)46)38-60(59)52-30-22-48-18-14-40-6-2-10-44-26-34-56(52)68(48)64(40)44/h1-38H