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

Systemtic Name: N5,N11-di(anthracen-9-yl)-N5,N11,3-triphenyl-phenanthro[9,10-b]pyrazine-5,11-diamine Openeye Name: N5,N11-bis(9-anthryl)-N5,N11,3-triphenyl-phenanthro[9,10-b]pyrazine-5,11-diamine CAS Name: N5,N11-bis(9-anthracenyl)-N5,N11,3-triphenylphenanthro[9,10-b]pyrazine-5,11-diamine IUPAC Name: 5-N,11-N-di(anthracen-9-yl)-5-N,11-N,3-triphenylphenanthro[9,10-b]pyrazine-5,11-diamine Traditional Name: 9-anthryl-[5-[N-(9-anthryl)anilino]-3-phenyl-phenanthro[9,10-b]pyrazin-11-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=CC(=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=CC(=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/c1-4-19-41(20-5-1)56-40-63-59-55-39-48(65(46-25-6-2-7-26-46)61-49-29-14-10-21-42(49)37-43-22-11-15-30-50(43)61)35-36-53(55)54-33-18-34-57(58(54)60(59)64-56)66(47-27-8-3-9-28-47)62-51-31-16-12-23-44(51)38-45-24-13-17-32-52(45)62/h1-40H