2,7-bis(3,4-dimethylphenyl)-3,6,10,11-tetrakis(4-methylphenyl)triphenylene

Systemtic Name: 2,7-bis(3,4-dimethylphenyl)-3,6,10,11-tetrakis(4-methylphenyl)triphenylene Openeye Name: 2,7-bis(3,4-dimethylphenyl)-3,6,10,11-tetrakis(p-tolyl)triphenylene CAS Name: 2,7-bis(3,4-dimethylphenyl)-3,6,10,11-tetrakis(4-methylphenyl)triphenylene IUPAC Name: 2,7-bis(3,4-dimethylphenyl)-3,6,10,11-tetrakis(4-methylphenyl)triphenylene Traditional Name: 2,7-bis(3,4-dimethylphenyl)-3,6,10,11-tetrakis(p-tolyl)triphenylene Formula: C62H52 MolecularWeight: 797.07628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=C3C(=C2)C4=CC(=C(C=C4C5=CC(=C(C=C35)C6=CC(=C(C=C6)C)C)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C9=CC(=C(C=C9)C)C)C1=CC=C(C=C1)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=C3C(=C2)C4=CC(=C(C=C4C5=CC(=C(C=C35)C6=CC(=C(C=C6)C)C)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C9=CC(=C(C=C9)C)C)C1=CC=C(C=C1)C

InChI

InChI=1S/C62H52/c1-37-9-19-45(20-10-37)51-31-57-58(32-52(51)46-21-11-38(2)12-22-46)62-36-56(50-28-18-42(6)44(8)30-50)54(48-25-15-40(4)16-26-48)34-60(62)59-33-53(47-23-13-39(3)14-24-47)55(35-61(57)59)49-27-17-41(5)43(7)29-49/h9-36H,1-8H3