N-(4-methylphenyl)-10,15,20-triphenyl-21,22-dihydroporphyrin-5-amine

Systemtic Name: N-(4-methylphenyl)-10,15,20-triphenyl-21,22-dihydroporphyrin-5-amine Openeye Name: 10,15,20-triphenyl-N-(p-tolyl)-21,22-dihydroporphyrin-5-amine CAS Name: N-(4-methylphenyl)-10,15,20-triphenyl-21,22-dihydroporphyrin-5-amine IUPAC Name: N-(4-methylphenyl)-10,15,20-triphenyl-21,22-dihydroporphyrin-5-amine Traditional Name: p-tolyl-(10,15,20-triphenyl-21,22-dihydroporphin-5-yl)amine Formula: C45H33N5 MolecularWeight: 643.77702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)N3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)N3

InChI

InChI=1S/C45H33N5/c1-29-17-19-33(20-18-29)46-45-40-27-25-38(49-40)43(31-13-7-3-8-14-31)36-23-21-34(47-36)42(30-11-5-2-6-12-30)35-22-24-37(48-35)44(32-15-9-4-10-16-32)39-26-28-41(45)50-39/h2-28,46,49-50H,1H3