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

Systemtic Name: N7,N10-di(phenanthren-9-yl)-N7,N10,3-triphenyl-phenanthro[9,10-b]pyrazine-7,10-diamine Openeye Name: N7,N10-bis(9-phenanthryl)-N7,N10,3-triphenyl-phenanthro[9,10-b]pyrazine-7,10-diamine CAS Name: N7,N10-bis(9-phenanthrenyl)-N7,N10,3-triphenylphenanthro[9,10-b]pyrazine-7,10-diamine IUPAC Name: 7-N,10-N-di(phenanthren-9-yl)-7-N,10-N,3-triphenylphenanthro[9,10-b]pyrazine-7,10-diamine Traditional Name: 9-phenanthryl-[7-[N-(9-phenanthryl)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=CC7=CC=CC=C7C8=CC=CC=C86)C9=C(C3=N2)C=CC(=C9)N(C1=CC=CC=C1)C1=CC2=CC=CC=C2C2=CC=CC=C21

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C3C4=C(C=C(C=C4)N(C5=CC=CC=C5)C6=CC7=CC=CC=C7C8=CC=CC=C86)C9=C(C3=N2)C=CC(=C9)N(C1=CC=CC=C1)C1=CC2=CC=CC=C2C2=CC=CC=C21

InChI

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