15-[4-(2-bromoethyl)phenyl]-5,10,20-triphenyl-21,22-dihydroporphyrin

Systemtic Name: 15-[4-(2-bromoethyl)phenyl]-5,10,20-triphenyl-21,22-dihydroporphyrin Openeye Name: 15-[4-(2-bromoethyl)phenyl]-5,10,20-triphenyl-21,22-dihydroporphyrin CAS Name: 15-[4-(2-bromoethyl)phenyl]-5,10,20-triphenyl-21,22-dihydroporphyrin IUPAC Name: 15-[4-(2-bromoethyl)phenyl]-5,10,20-triphenyl-21,22-dihydroporphyrin Traditional Name: 15-[4-(2-bromoethyl)phenyl]-5,10,20-triphenyl-21,22-dihydroporphine Formula: C46H33BrN4 MolecularWeight: 721.68502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H33BrN4/c47-29-28-30-16-18-34(19-17-30)46-41-26-24-39(50-41)44(32-12-6-2-7-13-32)37-22-20-35(48-37)43(31-10-4-1-5-11-31)36-21-23-38(49-36)45(33-14-8-3-9-15-33)40-25-27-42(46)51-40/h1-27,48-49H,28-29H2