phenyl-[15-(phenylcarbonyl)-10,20-bis(trifluoromethyl)-21,24-dihydroporphyrin-5-yl]methanone

Systemtic Name: phenyl-[15-(phenylcarbonyl)-10,20-bis(trifluoromethyl)-21,24-dihydroporphyrin-5-yl]methanone Openeye Name: [15-benzoyl-10,20-bis(trifluoromethyl)-21,24-dihydroporphyrin-5-yl]-phenyl-methanone CAS Name: [15-benzoyl-10,20-bis(trifluoromethyl)-21,24-dihydroporphyrin-5-yl]-phenylmethanone IUPAC Name: [15-benzoyl-10,20-bis(trifluoromethyl)-21,24-dihydroporphyrin-5-yl]-phenylmethanone Traditional Name: [15-benzoyl-10,20-bis(trifluoromethyl)-21,24-dihydroporphin-5-yl]-phenyl-methanone Formula: C36H20F6N4O2 MolecularWeight: 654.560019

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C(F)(F)F)C(=O)C7=CC=CC=C7)C(F)(F)F)N3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C(F)(F)F)C(=O)C7=CC=CC=C7)C(F)(F)F)N3

InChI

InChI=1S/C36H20F6N4O2/c37-35(38,39)31-25-15-11-21(43-25)29(33(47)19-7-3-1-4-8-19)22-12-16-26(44-22)32(36(40,41)42)28-18-14-24(46-28)30(23-13-17-27(31)45-23)34(48)20-9-5-2-6-10-20/h1-18,43,45H