1,3,6,8-tetrakis(5-tert-butyl-2-methoxy-phenyl)pyrene

Systemtic Name: 1,3,6,8-tetrakis(5-tert-butyl-2-methoxy-phenyl)pyrene Openeye Name: 1,3,6,8-tetrakis(5-tert-butyl-2-methoxy-phenyl)pyrene CAS Name: 1,3,6,8-tetrakis(5-tert-butyl-2-methoxyphenyl)pyrene IUPAC Name: 1,3,6,8-tetrakis(5-tert-butyl-2-methoxyphenyl)pyrene Traditional Name: 1,3,6,8-tetrakis(5-tert-butyl-2-methoxy-phenyl)pyrene Formula: C60H66O4 MolecularWeight: 851.16364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)C6=C(C=CC(=C6)C(C)(C)C)OC)C7=C(C=CC(=C7)C(C)(C)C)OC)C8=C(C=CC(=C8)C(C)(C)C)OC

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)C6=C(C=CC(=C6)C(C)(C)C)OC)C7=C(C=CC(=C7)C(C)(C)C)OC)C8=C(C=CC(=C8)C(C)(C)C)OC

InChI

InChI=1S/C60H66O4/c1-57(2,3)35-17-25-51(61-13)47(29-35)43-33-44(48-30-36(58(4,5)6)18-26-52(48)62-14)40-23-24-42-46(50-32-38(60(10,11)12)20-28-54(50)64-16)34-45(41-22-21-39(43)55(40)56(41)42)49-31-37(59(7,8)9)19-27-53(49)63-15/h17-34H,1-16H3