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

Systemtic Name: 10,20-bis(4-iodophenyl)-5,15-bis(4-methylphenyl)-21,22-dihydroporphyrin Openeye Name: 10,20-bis(4-iodophenyl)-5,15-bis(p-tolyl)-21,22-dihydroporphyrin CAS Name: 10,20-bis(4-iodophenyl)-5,15-bis(4-methylphenyl)-21,22-dihydroporphyrin IUPAC Name: 10,20-bis(4-iodophenyl)-5,15-bis(4-methylphenyl)-21,22-dihydroporphyrin Traditional Name: 10,20-bis(4-iodophenyl)-5,15-bis(p-tolyl)-21,22-dihydroporphine Formula: C46H32I2N4 MolecularWeight: 894.58202

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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=C(C=C7)I)C=C5)C8=CC=C(C=C8)C)C=C4)C9=CC=C(C=C9)I)N3

Isomeric SMILES

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

InChI

InChI=1S/C46H32I2N4/c1-27-3-7-29(8-4-27)43-35-19-23-39(49-35)45(31-11-15-33(47)16-12-31)41-25-21-37(51-41)44(30-9-5-28(2)6-10-30)38-22-26-42(52-38)46(40-24-20-36(43)50-40)32-13-17-34(48)18-14-32/h3-26,49-50H,1-2H3