2,3,7,8,12,13,17,18-octaethyl-15-[8-(2,3,7,8,12,13,17,18-octaethyl-23,24-dihydroporphyrin-5-yl)octa-1,3,5,7-tetraynyl]-21,22-dihydroporphyrin

Systemtic Name: 2,3,7,8,12,13,17,18-octaethyl-15-[8-(2,3,7,8,12,13,17,18-octaethyl-23,24-dihydroporphyrin-5-yl)octa-1,3,5,7-tetraynyl]-21,22-dihydroporphyrin Openeye Name: 2,3,7,8,12,13,17,18-octaethyl-15-[8-(2,3,7,8,12,13,17,18-octaethyl-23,24-dihydroporphyrin-5-yl)octa-1,3,5,7-tetraynyl]-21,22-dihydroporphyrin CAS Name: 2,3,7,8,12,13,17,18-octaethyl-15-[8-(2,3,7,8,12,13,17,18-octaethyl-23,24-dihydroporphyrin-5-yl)octa-1,3,5,7-tetraynyl]-21,22-dihydroporphyrin IUPAC Name: 2,3,7,8,12,13,17,18-octaethyl-15-[8-(2,3,7,8,12,13,17,18-octaethyl-23,24-dihydroporphyrin-5-yl)octa-1,3,5,7-tetraynyl]-21,22-dihydroporphyrin Traditional Name: 2,3,7,8,12,13,17,18-octaethyl-15-[8-(2,3,7,8,12,13,17,18-octaethyl-23,24-dihydroporphin-5-yl)octa-1,3,5,7-tetraynyl]-21,22-dihydroporphine Formula: C80H90N8 MolecularWeight: 1163.6242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=NC(=C(C4=NC(=CC5=C(C(=C(N5)C=C1N2)CC)CC)C(=C4CC)CC)C#CC#CC#CC#CC6=C7C(=C(C(=N7)C=C8C(=C(C(=CC9=C(C(=C(N9)C=C1C(=C(C6=N1)CC)CC)CC)CC)N8)CC)CC)CC)CC)C(=C3CC)CC)CC

Isomeric SMILES

CCC1=C(C2=CC3=NC(=C(C4=NC(=CC5=C(C(=C(N5)C=C1N2)CC)CC)C(=C4CC)CC)C#CC#CC#CC#CC6=C7C(=C(C(=N7)C=C8C(=C(C(=CC9=C(C(=C(N9)C=C1C(=C(C6=N1)CC)CC)CC)CC)N8)CC)CC)CC)CC)C(=C3CC)CC)CC

InChI

InChI=1S/C80H90N8/c1-17-47-51(21-5)69-43-73-55(25-9)59(29-13)77(85-73)63(78-60(30-14)56(26-10)74(86-78)44-70-52(22-6)48(18-2)66(82-70)41-65(47)81-69)39-37-35-33-34-36-38-40-64-79-61(31-15)57(27-11)75(87-79)45-71-53(23-7)49(19-3)67(83-71)42-68-50(20-4)54(24-8)72(84-68)46-76-58(28-12)62(32-16)80(64)88-76/h41-46,81-84H,17-32H2,1-16H3