5-[8-(1,3-dithian-2-yl)anthracen-1-yl]-10,15,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 5-[8-(1,3-dithian-2-yl)anthracen-1-yl]-10,15,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin Openeye Name: 5-[8-(1,3-dithian-2-yl)-1-anthryl]-10,15,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin CAS Name: 5-[8-(1,3-dithian-2-yl)-1-anthracenyl]-10,15,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin IUPAC Name: 5-[8-(1,3-dithian-2-yl)anthracen-1-yl]-10,15,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin Traditional Name: 5-[8-(1,3-dithian-2-yl)-1-anthryl]-10,15,20-trimesityl-21,22-dihydroporphine Formula: C65H58N4S2 MolecularWeight: 959.31282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=C(C=C7C)C)C)C8=C(C=C(C=C8C)C)C)C9=CC=CC1=CC2=C(C=C19)C(=CC=C2)C1SCCCS1)N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=C(C=C7C)C)C)C8=C(C=C(C=C8C)C)C)C9=CC=CC1=CC2=C(C=C19)C(=CC=C2)C1SCCCS1)N3)C

InChI

InChI=1S/C65H58N4S2/c1-35-27-38(4)58(39(5)28-35)62-52-19-17-50(66-52)61(46-15-10-13-44-33-45-14-11-16-47(49(45)34-48(44)46)65-70-25-12-26-71-65)51-18-20-53(67-51)63(59-40(6)29-36(2)30-41(59)7)55-22-24-57(69-55)64(56-23-21-54(62)68-56)60-42(8)31-37(3)32-43(60)9/h10-11,13-24,27-34,65-67H,12,25-26H2,1-9H3