chrysene; 1,3,6,8-tetraphenylpyrene

Systemtic Name: chrysene; 1,3,6,8-tetraphenylpyrene Openeye Name: chrysene; 1,3,6,8-tetraphenylpyrene CAS Name: chrysene; 1,3,6,8-tetraphenylpyrene IUPAC Name: chrysene; 1,3,6,8-tetraphenylpyrene Traditional Name: chrysene; 1,3,6,8-tetraphenylpyrene Formula: C58H38 MolecularWeight: 734.92232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8.C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8.C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43

InChI

InChI=1S/C40H26.C18H12/c1-5-13-27(14-6-1)35-25-36(28-15-7-2-8-16-28)32-23-24-34-38(30-19-11-4-12-20-30)26-37(29-17-9-3-10-18-29)33-22-21-31(35)39(32)40(33)34;1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-26H;1-12H