5,10,15,20-tetrakis[3-(bromomethyl)phenyl]-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis[3-(bromomethyl)phenyl]-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis[3-(bromomethyl)phenyl]-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis[3-(bromomethyl)phenyl]-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis[3-(bromomethyl)phenyl]-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis[3-(bromomethyl)phenyl]-21,22-dihydroporphine Formula: C48H34Br4N4 MolecularWeight: 986.42636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CBr)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=CC=C7)CBr)C8=CC(=CC=C8)CBr)C9=CC(=CC=C9)CBr)N3

Isomeric SMILES

C1=CC(=CC(=C1)CBr)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=CC=C7)CBr)C8=CC(=CC=C8)CBr)C9=CC(=CC=C9)CBr)N3

InChI

InChI=1S/C48H34Br4N4/c49-25-29-5-1-9-33(21-29)45-37-13-15-39(53-37)46(34-10-2-6-30(22-34)26-50)41-17-19-43(55-41)48(36-12-4-8-32(24-36)28-52)44-20-18-42(56-44)47(40-16-14-38(45)54-40)35-11-3-7-31(23-35)27-51/h1-24,53-54H,25-28H2