2-bromanyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin

Systemtic Name: 2-bromanyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Openeye Name: 2-bromo-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin CAS Name: 2-bromo-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin IUPAC Name: 2-bromo-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Traditional Name: 2-bromo-5,10,15,20-tetraphenyl-21,22-dihydroporphine Formula: C44H29BrN4 MolecularWeight: 693.63186

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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=CC=C7)C8=CC=CC=C8)Br)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=CC=C7)C8=CC=CC=C8)Br)C9=CC=CC=C9)N3

InChI

InChI=1S/C44H29BrN4/c45-32-27-39-42(30-17-9-3-10-18-30)37-24-23-35(47-37)40(28-13-5-1-6-14-28)33-21-22-34(46-33)41(29-15-7-2-8-16-29)36-25-26-38(48-36)43(44(32)49-39)31-19-11-4-12-20-31/h1-27,47,49H