2,7,12,17-tetramethyl-3,8,13,18-tetraphenyl-21,22-dihydroporphyrin

Systemtic Name: 2,7,12,17-tetramethyl-3,8,13,18-tetraphenyl-21,22-dihydroporphyrin Openeye Name: 2,7,12,17-tetramethyl-3,8,13,18-tetraphenyl-21,22-dihydroporphyrin CAS Name: 2,7,12,17-tetramethyl-3,8,13,18-tetraphenyl-21,22-dihydroporphyrin IUPAC Name: 2,7,12,17-tetramethyl-3,8,13,18-tetraphenyl-21,22-dihydroporphyrin Traditional Name: 2,7,12,17-tetramethyl-3,8,13,18-tetraphenyl-21,22-dihydroporphine Formula: C48H38N4 MolecularWeight: 670.84212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C6=CC=CC=C6)C)C7=CC=CC=C7)C)C8=CC=CC=C8)C)C9=CC=CC=C9

Isomeric SMILES

CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C6=CC=CC=C6)C)C7=CC=CC=C7)C)C8=CC=CC=C8)C)C9=CC=CC=C9

InChI

InChI=1S/C48H38N4/c1-29-37-25-42-46(34-19-11-6-12-20-34)31(3)39(50-42)27-44-48(36-23-15-8-16-24-36)32(4)40(52-44)28-43-47(35-21-13-7-14-22-35)30(2)38(51-43)26-41(49-37)45(29)33-17-9-5-10-18-33/h5-28,49-50H,1-4H3