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

Systemtic Name: 1,3,6-tris(5-tert-butyl-2-methoxy-phenyl)pyrene Openeye Name: 1,3,6-tris(5-tert-butyl-2-methoxy-phenyl)pyrene CAS Name: 1,3,6-tris(5-tert-butyl-2-methoxyphenyl)pyrene IUPAC Name: 1,3,6-tris(5-tert-butyl-2-methoxyphenyl)pyrene Traditional Name: 1,3,6-tris(5-tert-butyl-2-methoxy-phenyl)pyrene Formula: C49H52O3 MolecularWeight: 688.93538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H52O3/c1-47(2,3)30-15-22-42(50-10)39(25-30)33-18-13-29-14-19-35-37(40-26-31(48(4,5)6)16-23-43(40)51-11)28-38(36-21-20-34(33)45(29)46(35)36)41-27-32(49(7,8)9)17-24-44(41)52-12/h13-28H,1-12H3