12,13-bis(bromanyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin

Systemtic Name: 12,13-bis(bromanyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Openeye Name: 12,13-dibromo-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin CAS Name: 12,13-dibromo-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin IUPAC Name: 12,13-dibromo-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Traditional Name: 12,13-dibromo-5,10,15,20-tetraphenyl-21,22-dihydroporphine Formula: C44H28Br2N4 MolecularWeight: 772.52792

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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(=C(C(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)Br)Br)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(=C(C(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)Br)Br)C8=CC=CC=C8)C9=CC=CC=C9)N3

InChI

InChI=1S/C44H28Br2N4/c45-41-42(46)44-40(30-19-11-4-12-20-30)36-26-24-34(49-36)38(28-15-7-2-8-16-28)32-22-21-31(47-32)37(27-13-5-1-6-14-27)33-23-25-35(48-33)39(43(41)50-44)29-17-9-3-10-18-29/h1-26,47-48H