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

Systemtic Name: 2-methyl-N,N-bis(2-methyl-4-phenanthren-4-yl-phenyl)-4-phenanthren-4-yl-aniline Openeye Name: 2-methyl-N,N-bis[2-methyl-4-(4-phenanthryl)phenyl]-4-(4-phenanthryl)aniline CAS Name: 2-methyl-N,N-bis[2-methyl-4-(4-phenanthrenyl)phenyl]-4-(4-phenanthrenyl)aniline IUPAC Name: 2-methyl-N,N-bis(2-methyl-4-phenanthren-4-ylphenyl)-4-phenanthren-4-ylaniline Traditional Name: tris[2-methyl-4-(4-phenanthryl)phenyl]amine Formula: C63H45N MolecularWeight: 816.0381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC=CC3=C2C4=CC=CC=C4C=C3)N(C5=C(C=C(C=C5)C6=CC=CC7=C6C8=CC=CC=C8C=C7)C)C9=C(C=C(C=C9)C1=CC=CC2=C1C1=CC=CC=C1C=C2)C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC=CC3=C2C4=CC=CC=C4C=C3)N(C5=C(C=C(C=C5)C6=CC=CC7=C6C8=CC=CC=C8C=C7)C)C9=C(C=C(C=C9)C1=CC=CC2=C1C1=CC=CC=C1C=C2)C

InChI

InChI=1S/C63H45N/c1-40-37-49(55-22-10-16-46-28-25-43-13-4-7-19-52(43)61(46)55)31-34-58(40)64(59-35-32-50(38-41(59)2)56-23-11-17-47-29-26-44-14-5-8-20-53(44)62(47)56)60-36-33-51(39-42(60)3)57-24-12-18-48-30-27-45-15-6-9-21-54(45)63(48)57/h4-39H,1-3H3