5,7,12,14-tetraphenyl-5,5a,13a,14-tetrahydropentacene-6,13-dione

Systemtic Name: 5,7,12,14-tetraphenyl-5,5a,13a,14-tetrahydropentacene-6,13-dione Openeye Name: 5,7,12,14-tetraphenyl-5,5a,13a,14-tetrahydropentacene-6,13-dione CAS Name: 5,7,12,14-tetraphenyl-5,5a,13a,14-tetrahydropentacene-6,13-dione IUPAC Name: 5,7,12,14-tetraphenyl-5,5a,13a,14-tetrahydropentacene-6,13-dione Traditional Name: 5,7,12,14-tetraphenyl-5,5a,13a,14-tetrahydropentacene-6,13-quinone Formula: C46H32O2 MolecularWeight: 616.74508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C3C(C(C4=CC=CC=C24)C5=CC=CC=C5)C(=O)C6=C(C7=CC=CC=C7C(=C6C3=O)C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

C1=CC=C(C=C1)C2C3C(C(C4=CC=CC=C24)C5=CC=CC=C5)C(=O)C6=C(C7=CC=CC=C7C(=C6C3=O)C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C46H32O2/c47-45-41-37(29-17-5-1-6-18-29)33-25-13-14-26-34(33)38(30-19-7-2-8-20-30)42(41)46(48)44-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)39(43(44)45)31-21-9-3-10-22-31/h1-28,37-38,41-42H