2,5-dimethyl-N,N-bis(2-methyl-4-phenanthren-9-yl-phenyl)-4-phenanthren-9-yl-aniline

Systemtic Name: 2,5-dimethyl-N,N-bis(2-methyl-4-phenanthren-9-yl-phenyl)-4-phenanthren-9-yl-aniline Openeye Name: 2,5-dimethyl-N,N-bis[2-methyl-4-(9-phenanthryl)phenyl]-4-(9-phenanthryl)aniline CAS Name: 2,5-dimethyl-N,N-bis[2-methyl-4-(9-phenanthrenyl)phenyl]-4-(9-phenanthrenyl)aniline IUPAC Name: 2,5-dimethyl-N,N-bis(2-methyl-4-phenanthren-9-ylphenyl)-4-phenanthren-9-ylaniline Traditional Name: [2,5-dimethyl-4-(9-phenanthryl)phenyl]-bis[2-methyl-4-(9-phenanthryl)phenyl]amine Formula: C64H47N MolecularWeight: 830.06468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC3=CC=CC=C3C4=CC=CC=C42)C)N(C5=C(C=C(C=C5)C6=CC7=CC=CC=C7C8=CC=CC=C86)C)C9=C(C=C(C=C9)C1=CC2=CC=CC=C2C2=CC=CC=C21)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC3=CC=CC=C3C4=CC=CC=C42)C)N(C5=C(C=C(C=C5)C6=CC7=CC=CC=C7C8=CC=CC=C86)C)C9=C(C=C(C=C9)C1=CC2=CC=CC=C2C2=CC=CC=C21)C

InChI

InChI=1S/C64H47N/c1-40-36-64(43(4)35-58(40)61-39-46-19-7-10-22-51(46)54-25-13-16-28-57(54)61)65(62-31-29-47(33-41(62)2)59-37-44-17-5-8-20-49(44)52-23-11-14-26-55(52)59)63-32-30-48(34-42(63)3)60-38-45-18-6-9-21-50(45)53-24-12-15-27-56(53)60/h5-39H,1-4H3