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

Systemtic Name: N,N-bis(2,5-dimethyl-4-phenanthren-9-yl-phenyl)-2,5-dimethyl-4-phenanthren-9-yl-aniline Openeye Name: N,N-bis[2,5-dimethyl-4-(9-phenanthryl)phenyl]-2,5-dimethyl-4-(9-phenanthryl)aniline CAS Name: N,N-bis[2,5-dimethyl-4-(9-phenanthrenyl)phenyl]-2,5-dimethyl-4-(9-phenanthrenyl)aniline IUPAC Name: N,N-bis(2,5-dimethyl-4-phenanthren-9-ylphenyl)-2,5-dimethyl-4-phenanthren-9-ylaniline Traditional Name: tris[2,5-dimethyl-4-(9-phenanthryl)phenyl]amine Formula: C66H51N MolecularWeight: 858.11784

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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)C)C6=CC7=CC=CC=C7C8=CC=CC=C86)C)C9=C(C=C(C(=C9)C)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)C)C6=CC7=CC=CC=C7C8=CC=CC=C86)C)C9=C(C=C(C(=C9)C)C1=CC2=CC=CC=C2C2=CC=CC=C21)C

InChI

InChI=1S/C66H51N/c1-40-34-64(43(4)31-58(40)61-37-46-19-7-10-22-49(46)52-25-13-16-28-55(52)61)67(65-35-41(2)59(32-44(65)5)62-38-47-20-8-11-23-50(47)53-26-14-17-29-56(53)62)66-36-42(3)60(33-45(66)6)63-39-48-21-9-12-24-51(48)54-27-15-18-30-57(54)63/h7-39H,1-6H3