2-(15-bromanyl-10,20-diphenyl-23,24-dihydroporphyrin-5-yl)cyclohexane-1,3-dione

Systemtic Name: 2-(15-bromanyl-10,20-diphenyl-23,24-dihydroporphyrin-5-yl)cyclohexane-1,3-dione Openeye Name: 2-(15-bromo-10,20-diphenyl-23,24-dihydroporphyrin-5-yl)cyclohexane-1,3-dione CAS Name: 2-(15-bromo-10,20-diphenyl-23,24-dihydroporphyrin-5-yl)cyclohexane-1,3-dione IUPAC Name: 2-(15-bromo-10,20-diphenyl-23,24-dihydroporphyrin-5-yl)cyclohexane-1,3-dione Traditional Name: 2-(15-bromo-10,20-diphenyl-23,24-dihydroporphin-5-yl)cyclohexane-1,3-quinone Formula: C38H27BrN4O2 MolecularWeight: 651.55058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(=O)C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)Br)N4)C8=CC=CC=C8

Isomeric SMILES

C1CC(=O)C(C(=O)C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)Br)N4)C8=CC=CC=C8

InChI

InChI=1S/C38H27BrN4O2/c39-38-30-20-18-26(42-30)34(22-8-3-1-4-9-22)24-14-16-28(40-24)36(37-32(44)12-7-13-33(37)45)29-17-15-25(41-29)35(23-10-5-2-6-11-23)27-19-21-31(38)43-27/h1-6,8-11,14-21,37,42-43H,7,12-13H2