N7,N10-di(anthracen-9-yl)-N7,N10,3-triphenyl-phenanthro[9,10-b]pyrazine-7,10-diamine

Systemtic Name: N7,N10-di(anthracen-9-yl)-N7,N10,3-triphenyl-phenanthro[9,10-b]pyrazine-7,10-diamine Openeye Name: N7,N10-bis(9-anthryl)-N7,N10,3-triphenyl-phenanthro[9,10-b]pyrazine-7,10-diamine CAS Name: N7,N10-bis(9-anthracenyl)-N7,N10,3-triphenylphenanthro[9,10-b]pyrazine-7,10-diamine IUPAC Name: 7-N,10-N-di(anthracen-9-yl)-7-N,10-N,3-triphenylphenanthro[9,10-b]pyrazine-7,10-diamine Traditional Name: 9-anthryl-[7-[N-(9-anthryl)anilino]-3-phenyl-phenanthro[9,10-b]pyrazin-10-yl]-phenyl-amine Formula: C62H40N4 MolecularWeight: 841.0078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C3C4=C(C=C(C=C4)N(C5=CC=CC=C5)C6=C7C=CC=CC7=CC8=CC=CC=C86)C9=C(C3=N2)C=CC(=C9)N(C1=CC=CC=C1)C1=C2C=CC=CC2=CC2=CC=CC=C21

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C3C4=C(C=C(C=C4)N(C5=CC=CC=C5)C6=C7C=CC=CC7=CC8=CC=CC=C86)C9=C(C3=N2)C=CC(=C9)N(C1=CC=CC=C1)C1=C2C=CC=CC2=CC2=CC=CC=C21

InChI

InChI=1S/C62H40N4/c1-4-18-41(19-5-1)58-40-63-59-54-34-32-48(65(46-24-6-2-7-25-46)61-50-28-14-10-20-42(50)36-43-21-11-15-29-51(43)61)38-56(54)57-39-49(33-35-55(57)60(59)64-58)66(47-26-8-3-9-27-47)62-52-30-16-12-22-44(52)37-45-23-13-17-31-53(45)62/h1-40H