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

Systemtic Name: 4-nitro-3-[10,15,20-tris(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]phenol Openeye Name: 4-nitro-3-[10,15,20-tris(p-tolyl)-23,24-dihydroporphyrin-5-yl]phenol CAS Name: 4-nitro-3-[10,15,20-tris(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]phenol IUPAC Name: 4-nitro-3-[10,15,20-tris(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]phenol Traditional Name: 4-nitro-3-[10,15,20-tris(p-tolyl)-23,24-dihydroporphin-5-yl]phenol Formula: C47H35N5O3 MolecularWeight: 717.8125

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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)C7=C(C=CC(=C7)O)[N+](=O)[O-])C8=CC=C(C=C8)C)C9=CC=C(C=C9)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)C7=C(C=CC(=C7)O)[N+](=O)[O-])C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)N3

InChI

InChI=1S/C47H35N5O3/c1-27-4-10-30(11-5-27)44-35-17-19-37(48-35)45(31-12-6-28(2)7-13-31)39-21-23-41(50-39)47(34-26-33(53)16-25-43(34)52(54)55)42-24-22-40(51-42)46(38-20-18-36(44)49-38)32-14-8-29(3)9-15-32/h4-26,48-49,53H,1-3H3