4-[15-[1,5-bis(bromanyl)pentan-3-yl]-21,22-dihydroporphyrin-5-yl]aniline

Systemtic Name: 4-[15-[1,5-bis(bromanyl)pentan-3-yl]-21,22-dihydroporphyrin-5-yl]aniline Openeye Name: 4-[15-[3-bromo-1-(2-bromoethyl)propyl]-21,22-dihydroporphyrin-5-yl]aniline CAS Name: 4-[15-(1,5-dibromopentan-3-yl)-21,22-dihydroporphyrin-5-yl]aniline IUPAC Name: 4-[15-(1,5-dibromopentan-3-yl)-21,22-dihydroporphyrin-5-yl]aniline Traditional Name: [4-[15-[3-bromo-1-(2-bromoethyl)propyl]-21,22-dihydroporphin-5-yl]phenyl]amine Formula: C31H27Br2N5 MolecularWeight: 629.38758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C(CCBr)CCBr)C=C4)N3)N

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C(CCBr)CCBr)C=C4)N3)N

InChI

InChI=1S/C31H27Br2N5/c32-15-13-20(14-16-33)31-28-11-7-24(37-28)17-22-5-9-26(35-22)30(19-1-3-21(34)4-2-19)27-10-6-23(36-27)18-25-8-12-29(31)38-25/h1-12,17-18,20,35-36H,13-16,34H2