1-[3,5-bis(6-tert-butylpyren-1-yl)phenyl]-6-tert-butyl-pyrene

Systemtic Name: 1-[3,5-bis(6-tert-butylpyren-1-yl)phenyl]-6-tert-butyl-pyrene Openeye Name: 1-[3,5-bis(6-tert-butylpyren-1-yl)phenyl]-6-tert-butyl-pyrene CAS Name: 1-[3,5-bis(6-tert-butyl-1-pyrenyl)phenyl]-6-tert-butylpyrene IUPAC Name: 1-[3,5-bis(6-tert-butylpyren-1-yl)phenyl]-6-tert-butylpyrene Traditional Name: 1-[3,5-bis(6-tert-butylpyren-1-yl)phenyl]-6-tert-butyl-pyrene Formula: C66H54 MolecularWeight: 847.13496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C=CC3=C4C2=C(C=CC4=C(C=C3)C5=CC(=CC(=C5)C6=C7C=CC8=C9C7=C(C=C6)C=CC9=C(C=C8)C(C)(C)C)C2=C3C=CC4=C5C3=C(C=C2)C=CC5=C(C=C4)C(C)(C)C)C=C1

Isomeric SMILES

CC(C)(C)C1=C2C=CC3=C4C2=C(C=CC4=C(C=C3)C5=CC(=CC(=C5)C6=C7C=CC8=C9C7=C(C=C6)C=CC9=C(C=C8)C(C)(C)C)C2=C3C=CC4=C5C3=C(C=C2)C=CC5=C(C=C4)C(C)(C)C)C=C1

InChI

InChI=1S/C66H54/c1-64(2,3)55-31-19-40-13-25-49-46(22-10-37-16-28-52(55)61(40)58(37)49)43-34-44(47-23-11-38-17-29-53-56(65(4,5)6)32-20-41-14-26-50(47)59(38)62(41)53)36-45(35-43)48-24-12-39-18-30-54-57(66(7,8)9)33-21-42-15-27-51(48)60(39)63(42)54/h10-36H,1-9H3