1-[3-(4-butan-2-ylphenyl)-5-pyren-1-yl-phenyl]pyrene

Systemtic Name: 1-[3-(4-butan-2-ylphenyl)-5-pyren-1-yl-phenyl]pyrene Openeye Name: 1-[3-pyren-1-yl-5-(4-sec-butylphenyl)phenyl]pyrene CAS Name: 1-[3-(4-butan-2-ylphenyl)-5-(1-pyrenyl)phenyl]pyrene IUPAC Name: 1-[3-(4-butan-2-ylphenyl)-5-pyren-1-ylphenyl]pyrene Traditional Name: 1-[3-pyren-1-yl-5-(4-sec-butylphenyl)phenyl]pyrene Formula: C48H34 MolecularWeight: 610.78356

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)C7=C8C=CC9=CC=CC1=C9C8=C(C=C1)C=C7

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)C7=C8C=CC9=CC=CC1=C9C8=C(C=C1)C=C7

InChI

InChI=1S/C48H34/c1-3-29(2)30-10-12-31(13-11-30)38-26-39(41-22-18-36-16-14-32-6-4-8-34-20-24-43(41)47(36)45(32)34)28-40(27-38)42-23-19-37-17-15-33-7-5-9-35-21-25-44(42)48(37)46(33)35/h4-29H,3H2,1-2H3