10,15,20-tris(4-methylphenyl)-5-(4-prop-2-enylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 10,15,20-tris(4-methylphenyl)-5-(4-prop-2-enylphenyl)-21,22-dihydroporphyrin Openeye Name: 5-(4-allylphenyl)-10,15,20-tris(p-tolyl)-21,22-dihydroporphyrin CAS Name: 10,15,20-tris(4-methylphenyl)-5-(4-prop-2-enylphenyl)-21,22-dihydroporphyrin IUPAC Name: 10,15,20-tris(4-methylphenyl)-5-(4-prop-2-enylphenyl)-21,22-dihydroporphyrin Traditional Name: 5-(4-allylphenyl)-10,15,20-tris(p-tolyl)-21,22-dihydroporphine Formula: C50H40N4 MolecularWeight: 696.8794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H40N4/c1-5-6-34-13-21-38(22-14-34)50-45-29-27-43(53-45)48(36-17-9-32(3)10-18-36)41-25-23-39(51-41)47(35-15-7-31(2)8-16-35)40-24-26-42(52-40)49(44-28-30-46(50)54-44)37-19-11-33(4)12-20-37/h5,7-30,53-54H,1,6H2,2-4H3