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

Systemtic Name: 15-[4-(4-bromanylbutoxy)phenyl]-5,10,20-triphenyl-21,22-dihydroporphyrin Openeye Name: 15-[4-(4-bromobutoxy)phenyl]-5,10,20-triphenyl-21,22-dihydroporphyrin CAS Name: 15-[4-(4-bromobutoxy)phenyl]-5,10,20-triphenyl-21,22-dihydroporphyrin IUPAC Name: 15-[4-(4-bromobutoxy)phenyl]-5,10,20-triphenyl-21,22-dihydroporphyrin Traditional Name: 15-[4-(4-bromobutoxy)phenyl]-5,10,20-triphenyl-21,22-dihydroporphine Formula: C48H37BrN4O MolecularWeight: 765.73758

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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)OCCCCBr)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)OCCCCBr)C8=CC=CC=C8)C9=CC=CC=C9)N3

InChI

InChI=1S/C48H37BrN4O/c49-30-10-11-31-54-36-20-18-35(19-21-36)48-43-28-26-41(52-43)46(33-14-6-2-7-15-33)39-24-22-37(50-39)45(32-12-4-1-5-13-32)38-23-25-40(51-38)47(34-16-8-3-9-17-34)42-27-29-44(48)53-42/h1-9,12-29,50-51H,10-11,30-31H2