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

Systemtic Name: 5,10,20-tris(4-methylphenyl)-15-prop-2-enyl-21,22-dihydroporphyrin Openeye Name: 15-allyl-5,10,20-tris(p-tolyl)-21,22-dihydroporphyrin CAS Name: 5,10,20-tris(4-methylphenyl)-15-prop-2-enyl-21,22-dihydroporphyrin IUPAC Name: 5,10,20-tris(4-methylphenyl)-15-prop-2-enyl-21,22-dihydroporphyrin Traditional Name: 15-allyl-5,10,20-tris(p-tolyl)-21,22-dihydroporphine Formula: C44H36N4 MolecularWeight: 620.78344

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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)CC=C)C7=CC=C(C=C7)C)C8=CC=C(C=C8)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)CC=C)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)N3

InChI

InChI=1S/C44H36N4/c1-5-6-33-34-19-21-36(45-34)42(30-13-7-27(2)8-14-30)38-23-25-40(47-38)44(32-17-11-29(4)12-18-32)41-26-24-39(48-41)43(37-22-20-35(33)46-37)31-15-9-28(3)10-16-31/h5,7-26,47-48H,1,6H2,2-4H3