15-bromanyl-5-naphthalen-1-yloxy-10,20-diphenyl-21,22-dihydroporphyrin

Systemtic Name: 15-bromanyl-5-naphthalen-1-yloxy-10,20-diphenyl-21,22-dihydroporphyrin Openeye Name: 15-bromo-5-(1-naphthyloxy)-10,20-diphenyl-21,22-dihydroporphyrin CAS Name: 15-bromo-5-(1-naphthalenyloxy)-10,20-diphenyl-21,22-dihydroporphyrin IUPAC Name: 15-bromo-5-naphthalen-1-yloxy-10,20-diphenyl-21,22-dihydroporphyrin Traditional Name: 15-bromo-5-(1-naphthoxy)-10,20-diphenyl-21,22-dihydroporphine Formula: C42H27BrN4O MolecularWeight: 683.59398

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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)Br)C7=CC=CC=C7)OC8=CC=CC9=CC=CC=C98)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)Br)C7=CC=CC=C7)OC8=CC=CC9=CC=CC=C98)N3

InChI

InChI=1S/C42H27BrN4O/c43-41-34-22-18-30(44-34)39(27-11-3-1-4-12-27)32-20-24-36(46-32)42(48-38-17-9-15-26-10-7-8-16-29(26)38)37-25-21-33(47-37)40(28-13-5-2-6-14-28)31-19-23-35(41)45-31/h1-25,46-47H