N5,N11-di(anthracen-9-yl)-3-methyl-N5,N11-diphenyl-phenanthro[9,10-b]pyrazine-5,11-diamine

Systemtic Name: N5,N11-di(anthracen-9-yl)-3-methyl-N5,N11-diphenyl-phenanthro[9,10-b]pyrazine-5,11-diamine Openeye Name: N5,N11-bis(9-anthryl)-3-methyl-N5,N11-diphenyl-phenanthro[9,10-b]pyrazine-5,11-diamine CAS Name: N5,N11-bis(9-anthracenyl)-3-methyl-N5,N11-diphenylphenanthro[9,10-b]pyrazine-5,11-diamine IUPAC Name: 5-N,11-N-di(anthracen-9-yl)-3-methyl-5-N,11-N-diphenylphenanthro[9,10-b]pyrazine-5,11-diamine Traditional Name: 9-anthryl-[5-[N-(9-anthryl)anilino]-3-methyl-phenanthro[9,10-b]pyrazin-11-yl]-phenyl-amine Formula: C57H38N4 MolecularWeight: 778.93842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C3=C(C=CC(=C3)N(C4=CC=CC=C4)C5=C6C=CC=CC6=CC7=CC=CC=C75)C8=C(C2=N1)C(=CC=C8)N(C9=CC=CC=C9)C1=C2C=CC=CC2=CC2=CC=CC=C21

Isomeric SMILES

CC1=CN=C2C3=C(C=CC(=C3)N(C4=CC=CC=C4)C5=C6C=CC=CC6=CC7=CC=CC=C75)C8=C(C2=N1)C(=CC=C8)N(C9=CC=CC=C9)C1=C2C=CC=CC2=CC2=CC=CC=C21

InChI

InChI=1S/C57H38N4/c1-37-36-58-54-51-35-44(60(42-21-4-2-5-22-42)56-45-25-12-8-17-38(45)33-39-18-9-13-26-46(39)56)31-32-49(51)50-29-16-30-52(53(50)55(54)59-37)61(43-23-6-3-7-24-43)57-47-27-14-10-19-40(47)34-41-20-11-15-28-48(41)57/h2-36H,1H3