5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin

Systemtic Name: 5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin Openeye Name: 10,20-bis(p-tolyl)-15-(4-pyridyl)-5-(4-vinylphenyl)-21,22-dihydroporphyrin CAS Name: 5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin IUPAC Name: 5-(4-ethenylphenyl)-10,20-bis(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin Traditional Name: 10,20-bis(p-tolyl)-15-(4-pyridyl)-5-(4-vinylphenyl)-21,22-dihydroporphine Formula: C47H35N5 MolecularWeight: 669.8143

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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=NC=C7)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C=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=NC=C7)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C=C)N3

InChI

InChI=1S/C47H35N5/c1-4-31-9-15-34(16-10-31)46-40-19-17-36(49-40)44(32-11-5-29(2)6-12-32)38-21-23-42(51-38)47(35-25-27-48-28-26-35)43-24-22-39(52-43)45(37-18-20-41(46)50-37)33-13-7-30(3)8-14-33/h4-28,49-50H,1H2,2-3H3