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

Systemtic Name: 2-methyl-N,N-bis(2-methyl-5-phenanthren-9-yl-phenyl)-5-phenanthren-9-yl-aniline Openeye Name: 2-methyl-N,N-bis[2-methyl-5-(9-phenanthryl)phenyl]-5-(9-phenanthryl)aniline CAS Name: 2-methyl-N,N-bis[2-methyl-5-(9-phenanthrenyl)phenyl]-5-(9-phenanthrenyl)aniline IUPAC Name: 2-methyl-N,N-bis(2-methyl-5-phenanthren-9-ylphenyl)-5-phenanthren-9-ylaniline Traditional Name: tris[2-methyl-5-(9-phenanthryl)phenyl]amine Formula: C63H45N MolecularWeight: 816.0381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC3=CC=CC=C3C4=CC=CC=C42)N(C5=C(C=CC(=C5)C6=CC7=CC=CC=C7C8=CC=CC=C86)C)C9=C(C=CC(=C9)C1=CC2=CC=CC=C2C2=CC=CC=C21)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC3=CC=CC=C3C4=CC=CC=C42)N(C5=C(C=CC(=C5)C6=CC7=CC=CC=C7C8=CC=CC=C86)C)C9=C(C=CC(=C9)C1=CC2=CC=CC=C2C2=CC=CC=C21)C

InChI

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