2,3,7,8,12,13,17,18-octamethyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin

Systemtic Name: 2,3,7,8,12,13,17,18-octamethyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Openeye Name: 2,3,7,8,12,13,17,18-octamethyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin CAS Name: 2,3,7,8,12,13,17,18-octamethyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin IUPAC Name: 2,3,7,8,12,13,17,18-octamethyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Traditional Name: 2,3,7,8,12,13,17,18-octamethyl-5,10,15,20-tetraphenyl-21,22-dihydroporphine Formula: C52H46N4 MolecularWeight: 726.94844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C3=NC(=C(C4=NC(=C(C5=C(C(=C(N5)C(=C1N2)C6=CC=CC=C6)C)C)C7=CC=CC=C7)C(=C4C)C)C8=CC=CC=C8)C(=C3C)C)C9=CC=CC=C9)C

Isomeric SMILES

CC1=C(C2=C(C3=NC(=C(C4=NC(=C(C5=C(C(=C(N5)C(=C1N2)C6=CC=CC=C6)C)C)C7=CC=CC=C7)C(=C4C)C)C8=CC=CC=C8)C(=C3C)C)C9=CC=CC=C9)C

InChI

InChI=1S/C52H46N4/c1-29-30(2)46-42(38-23-15-10-16-24-38)48-33(5)34(6)50(55-48)44(40-27-19-12-20-28-40)52-36(8)35(7)51(56-52)43(39-25-17-11-18-26-39)49-32(4)31(3)47(54-49)41(45(29)53-46)37-21-13-9-14-22-37/h9-28,53-54H,1-8H3