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

Systemtic Name: 5,15-bis(4-methylphenyl)-10,20-dipyridin-4-yl-21,22-dihydroporphyrin Openeye Name: 5,15-bis(p-tolyl)-10,20-bis(4-pyridyl)-21,22-dihydroporphyrin CAS Name: 5,15-bis(4-methylphenyl)-10,20-dipyridin-4-yl-21,22-dihydroporphyrin IUPAC Name: 5,15-bis(4-methylphenyl)-10,20-dipyridin-4-yl-21,22-dihydroporphyrin Traditional Name: 5,15-bis(p-tolyl)-10,20-bis(4-pyridyl)-21,22-dihydroporphine Formula: C44H32N6 MolecularWeight: 644.76508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=NC=C7)C=C5)C8=CC=C(C=C8)C)C=C4)C9=CC=NC=C9)N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=NC=C7)C=C5)C8=CC=C(C=C8)C)C=C4)C9=CC=NC=C9)N3

InChI

InChI=1S/C44H32N6/c1-27-3-7-29(8-4-27)41-33-11-15-37(47-33)43(31-19-23-45-24-20-31)39-17-13-35(49-39)42(30-9-5-28(2)6-10-30)36-14-18-40(50-36)44(32-21-25-46-26-22-32)38-16-12-34(41)48-38/h3-26,47-48H,1-2H3