3-tert-butyl-N6,N6,N12,N12-tetrakis(3,4-dimethylphenyl)chrysene-6,12-diamine

Systemtic Name: 3-tert-butyl-N6,N6,N12,N12-tetrakis(3,4-dimethylphenyl)chrysene-6,12-diamine Openeye Name: 3-tert-butyl-N6,N6,N12,N12-tetrakis(3,4-dimethylphenyl)chrysene-6,12-diamine CAS Name: 3-tert-butyl-N6,N6,N12,N12-tetrakis(3,4-dimethylphenyl)chrysene-6,12-diamine IUPAC Name: 3-tert-butyl-6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)chrysene-6,12-diamine Traditional Name: [3-tert-butyl-12-(N-(3,4-dimethylphenyl)-3,4-dimethyl-anilino)chrysen-6-yl]-bis(3,4-dimethylphenyl)amine Formula: C54H54N2 MolecularWeight: 731.01996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(C2=CC(=C(C=C2)C)C)C3=CC4=C5C=C(C=CC5=C(C=C4C6=CC=CC=C63)N(C7=CC(=C(C=C7)C)C)C8=CC(=C(C=C8)C)C)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(C2=CC(=C(C=C2)C)C)C3=CC4=C5C=C(C=CC5=C(C=C4C6=CC=CC=C63)N(C7=CC(=C(C=C7)C)C)C8=CC(=C(C=C8)C)C)C(C)(C)C)C

InChI

InChI=1S/C54H54N2/c1-33-16-21-42(26-37(33)5)55(43-22-17-34(2)38(6)27-43)52-32-51-49-30-41(54(9,10)11)20-25-48(49)53(31-50(51)46-14-12-13-15-47(46)52)56(44-23-18-35(3)39(7)28-44)45-24-19-36(4)40(8)29-45/h12-32H,1-11H3