2,17,18,20-tetrakis(2,3,4-triethylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 2,17,18,20-tetrakis(2,3,4-triethylphenyl)-21,22-dihydroporphyrin Openeye Name: 2,17,18,20-tetrakis(2,3,4-triethylphenyl)-21,22-dihydroporphyrin CAS Name: 2,17,18,20-tetrakis(2,3,4-triethylphenyl)-21,22-dihydroporphyrin IUPAC Name: 2,17,18,20-tetrakis(2,3,4-triethylphenyl)-21,22-dihydroporphyrin Traditional Name: 2,17,18,20-tetrakis(2,3,4-triethylphenyl)-21,22-dihydroporphine Formula: C68H78N4 MolecularWeight: 951.37372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=C(C(=C(C=C7)CC)CC)CC)C8=C(C(=C(C=C8)CC)CC)CC)C9=C(C(=C(C=C9)CC)CC)CC)CC)CC

Isomeric SMILES

CCC1=C(C(=C(C=C1)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=C(C(=C(C=C7)CC)CC)CC)C8=C(C(=C(C=C8)CC)CC)CC)C9=C(C(=C(C=C9)CC)CC)CC)CC)CC

InChI

InChI=1S/C68H78N4/c1-13-41-25-33-58(54(21-9)50(41)17-5)62-39-49-38-47-30-29-45(69-47)37-46-31-32-48(70-46)40-63-64(59-34-26-42(14-2)51(18-6)55(59)22-10)65(60-35-27-43(15-3)52(19-7)56(60)23-11)68(72-63)66(67(62)71-49)61-36-28-44(16-4)53(20-8)57(61)24-12/h25-40,69,71H,13-24H2,1-12H3