1-phenyltetracene; 5,6,11,12-tetraphenyltetracene

Systemtic Name: 1-phenyltetracene; 5,6,11,12-tetraphenyltetracene Openeye Name: 1-phenyltetracene; 5,6,11,12-tetraphenyltetracene CAS Name: 1-phenyltetracene; 5,6,11,12-tetraphenyltetracene IUPAC Name: 1-phenyltetracene; 5,6,11,12-tetraphenyltetracene Traditional Name: 1-phenyltetracene; 5,6,11,12-tetraphenyltetracene Formula: C66H44 MolecularWeight: 837.05556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC3=CC4=CC5=CC=CC=C5C=C4C=C32.C1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=C(C5=CC=CC=C5C(=C24)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC3=CC4=CC5=CC=CC=C5C=C4C=C32.C1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=C(C5=CC=CC=C5C(=C24)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C42H28.C24H16/c1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30;1-2-7-17(8-3-1)23-12-6-11-20-15-21-13-18-9-4-5-10-19(18)14-22(21)16-24(20)23/h1-28H;1-16H