4-[10,15,20-tris(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphyrin-5-yl]aniline

Systemtic Name: 4-[10,15,20-tris(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphyrin-5-yl]aniline Openeye Name: 4-[10,15,20-tris(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphyrin-5-yl]aniline CAS Name: 4-[10,15,20-tris(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphyrin-5-yl]aniline IUPAC Name: 4-[10,15,20-tris(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphyrin-5-yl]aniline Traditional Name: [4-[10,15,20-tris(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphin-5-yl]phenyl]amine Formula: C44H40N8 MolecularWeight: 680.842

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CCN(C=C7)C)C8=CCN(C=C8)C)C9=CC=C(C=C9)N)N3

Isomeric SMILES

CN1CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CCN(C=C7)C)C8=CCN(C=C8)C)C9=CC=C(C=C9)N)N3

InChI

InChI=1S/C44H40N8/c1-50-22-16-29(17-23-50)42-35-10-8-33(46-35)41(28-4-6-32(45)7-5-28)34-9-11-36(47-34)43(30-18-24-51(2)25-19-30)38-13-15-40(49-38)44(39-14-12-37(42)48-39)31-20-26-52(3)27-21-31/h4-22,24,26,46-47H,23,25,27,45H2,1-3H3