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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC=CC3=C2C4=CC=CC=C4C=C3)C)N(C5=C(C=C(C(=C5)C)C6=CC=CC7=C6C8=CC=CC=C8C=C7)C)C9=C(C=C(C(=C9)C)C1=CC=CC2=C1C1=CC=CC=C1C=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC=CC3=C2C4=CC=CC=C4C=C3)C)N(C5=C(C=C(C(=C5)C)C6=CC=CC7=C6C8=CC=CC=C8C=C7)C)C9=C(C=C(C(=C9)C)C1=CC=CC2=C1C1=CC=CC=C1C=C2)C

InChI

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