N6,N11,3-triphenyl-N6,N11-di(pyren-4-yl)phenanthro[9,10-b]pyrazine-6,11-diamine

Systemtic Name: N6,N11,3-triphenyl-N6,N11-di(pyren-4-yl)phenanthro[9,10-b]pyrazine-6,11-diamine Openeye Name: N6,N11,3-triphenyl-N6,N11-di(pyren-4-yl)phenanthro[9,10-b]pyrazine-6,11-diamine CAS Name: N6,N11,3-triphenyl-N6,N11-bis(4-pyrenyl)phenanthro[9,10-b]pyrazine-6,11-diamine IUPAC Name: 6-N,11-N,3-triphenyl-6-N,11-N-di(pyren-4-yl)phenanthro[9,10-b]pyrazine-6,11-diamine Traditional Name: phenyl-[3-phenyl-6-(N-pyren-4-ylanilino)phenanthro[9,10-b]pyrazin-11-yl]-pyren-4-yl-amine Formula: C66H40N4 MolecularWeight: 889.0506

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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=CC7=CC=CC8=C7C9=C(C=CC=C69)C=C8)C1=C(C3=N2)C=C(C=C1)N(C1=CC=CC=C1)C1=CC2=CC=CC3=C2C2=C(C=CC=C12)C=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C3C4=C(C=CC(=C4)N(C5=CC=CC=C5)C6=CC7=CC=CC8=C7C9=C(C=CC=C69)C=C8)C1=C(C3=N2)C=C(C=C1)N(C1=CC=CC=C1)C1=CC2=CC=CC3=C2C2=C(C=CC=C12)C=C3

InChI

InChI=1S/C66H40N4/c1-4-14-41(15-5-1)58-40-67-65-56-38-50(69(48-22-6-2-7-23-48)59-36-46-20-10-16-42-28-30-44-18-12-26-54(59)63(44)61(42)46)32-34-52(56)53-35-33-51(39-57(53)66(65)68-58)70(49-24-8-3-9-25-49)60-37-47-21-11-17-43-29-31-45-19-13-27-55(60)64(45)62(43)47/h1-40H