1-[2,4,6-trimethyl-3,5-di(pyren-1-yl)phenyl]pyrene

Systemtic Name: 1-[2,4,6-trimethyl-3,5-di(pyren-1-yl)phenyl]pyrene Openeye Name: 1-[2,4,6-trimethyl-3,5-di(pyren-1-yl)phenyl]pyrene CAS Name: 1-[2,4,6-trimethyl-3,5-bis(1-pyrenyl)phenyl]pyrene IUPAC Name: 1-[2,4,6-trimethyl-3,5-di(pyren-1-yl)phenyl]pyrene Traditional Name: 1-[2,4,6-trimethyl-3,5-di(pyren-1-yl)phenyl]pyrene Formula: C57H36 MolecularWeight: 720.89574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)C)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CC1=C(C(=C(C(=C1C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)C)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C57H36/c1-31-49(43-25-22-40-16-13-34-7-4-10-37-19-28-46(43)55(40)52(34)37)32(2)51(45-27-24-42-18-15-36-9-6-12-39-21-30-48(45)57(42)54(36)39)33(3)50(31)44-26-23-41-17-14-35-8-5-11-38-20-29-47(44)56(41)53(35)38/h4-30H,1-3H3