3-[10,15,20-tris(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]propanenitrile

Systemtic Name: 3-[10,15,20-tris(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]propanenitrile Openeye Name: 3-[10,15,20-tris(p-tolyl)-23,24-dihydroporphyrin-5-yl]propanenitrile CAS Name: 3-[10,15,20-tris(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]propanenitrile IUPAC Name: 3-[10,15,20-tris(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]propanenitrile Traditional Name: 3-[10,15,20-tris(p-tolyl)-23,24-dihydroporphin-5-yl]propionitrile Formula: C44H35N5 MolecularWeight: 633.7822

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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)CCC#N)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)CCC#N)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)N3

InChI

InChI=1S/C44H35N5/c1-27-6-12-30(13-7-27)42-36-20-18-34(46-36)33(5-4-26-45)35-19-21-37(47-35)43(31-14-8-28(2)9-15-31)39-23-25-41(49-39)44(40-24-22-38(42)48-40)32-16-10-29(3)11-17-32/h6-25,48-49H,4-5H2,1-3H3