3-(15-bromanyl-10,20-diphenyl-23,24-dihydroporphyrin-5-yl)pentane-2,4-dione

Systemtic Name: 3-(15-bromanyl-10,20-diphenyl-23,24-dihydroporphyrin-5-yl)pentane-2,4-dione Openeye Name: 3-(15-bromo-10,20-diphenyl-23,24-dihydroporphyrin-5-yl)pentane-2,4-dione CAS Name: 3-(15-bromo-10,20-diphenyl-23,24-dihydroporphyrin-5-yl)pentane-2,4-dione IUPAC Name: 3-(15-bromo-10,20-diphenyl-23,24-dihydroporphyrin-5-yl)pentane-2,4-dione Traditional Name: 3-(15-bromo-10,20-diphenyl-23,24-dihydroporphin-5-yl)pentane-2,4-dione Formula: C37H27BrN4O2 MolecularWeight: 639.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)C6=CC=CC=C6)Br)N3)C7=CC=CC=C7)C(=O)C

Isomeric SMILES

CC(=O)C(C1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)C6=CC=CC=C6)Br)N3)C7=CC=CC=C7)C(=O)C

InChI

InChI=1S/C37H27BrN4O2/c1-21(43)33(22(2)44)36-29-15-13-25(39-29)34(23-9-5-3-6-10-23)27-17-19-31(41-27)37(38)32-20-18-28(42-32)35(24-11-7-4-8-12-24)26-14-16-30(36)40-26/h3-20,33,41-42H,1-2H3