2,7-ditert-butyl-4-[(E)-2-(2,7-ditert-butylpyren-4-yl)ethenyl]pyrene

Systemtic Name: 2,7-ditert-butyl-4-[(E)-2-(2,7-ditert-butylpyren-4-yl)ethenyl]pyrene Openeye Name: 2,7-ditert-butyl-4-[(E)-2-(2,7-ditert-butylpyren-4-yl)vinyl]pyrene CAS Name: 2,7-ditert-butyl-4-[(E)-2-(2,7-ditert-butyl-4-pyrenyl)ethenyl]pyrene IUPAC Name: 2,7-ditert-butyl-4-[(E)-2-(2,7-ditert-butylpyren-4-yl)ethenyl]pyrene Traditional Name: 2,7-ditert-butyl-4-[(E)-2-(2,7-ditert-butylpyren-4-yl)vinyl]pyrene Formula: C50H52 MolecularWeight: 652.94788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=CC(=C3C=C(C=C4C3=C2C(=C1)C=C4)C(C)(C)C)C=CC5=C6C=C(C=C7C6=C8C(=CC(=CC8=C5)C(C)(C)C)C=C7)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC2=CC(=C3C=C(C=C4C3=C2C(=C1)C=C4)C(C)(C)C)/C=C/C5=C6C=C(C=C7C6=C8C(=CC(=CC8=C5)C(C)(C)C)C=C7)C(C)(C)C

InChI

InChI=1S/C50H52/c1-47(2,3)37-21-31-15-17-33-23-39(49(7,8)9)27-41-29(19-35(25-37)43(31)45(33)41)13-14-30-20-36-26-38(48(4,5)6)22-32-16-18-34-24-40(50(10,11)12)28-42(30)46(34)44(32)36/h13-28H,1-12H3/b14-13+