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

Systemtic Name: 4-anthracen-9-yl-N,N-bis(4-anthracen-9-yl-2,5-dimethyl-phenyl)-2,5-dimethyl-aniline Openeye Name: 4-(9-anthryl)-N,N-bis[4-(9-anthryl)-2,5-dimethyl-phenyl]-2,5-dimethyl-aniline CAS Name: 4-(9-anthracenyl)-N,N-bis[4-(9-anthracenyl)-2,5-dimethylphenyl]-2,5-dimethylaniline IUPAC Name: 4-anthracen-9-yl-N,N-bis(4-anthracen-9-yl-2,5-dimethylphenyl)-2,5-dimethylaniline Traditional Name: tris[4-(9-anthryl)-2,5-dimethyl-phenyl]amine Formula: C66H51N MolecularWeight: 858.11784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=C3C=CC=CC3=CC4=CC=CC=C42)C)N(C5=C(C=C(C(=C5)C)C6=C7C=CC=CC7=CC8=CC=CC=C86)C)C9=C(C=C(C(=C9)C)C1=C2C=CC=CC2=CC2=CC=CC=C21)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=C3C=CC=CC3=CC4=CC=CC=C42)C)N(C5=C(C=C(C(=C5)C)C6=C7C=CC=CC7=CC8=CC=CC=C86)C)C9=C(C=C(C(=C9)C)C1=C2C=CC=CC2=CC2=CC=CC=C21)C

InChI

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